   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    0.0000      0.02128    -76.42219      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08673    1.90193   -1.06418      -0.01359    0.00177   -0.00544
  1.0     0.09113    3.60394   -0.42359       0.04673   -0.00576    0.01881
  1.0     1.70450    1.21639   -0.59506       0.16889   -0.02240    0.06744
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    0.1000      0.02128    -76.42210      -76.40082
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08537    1.90210   -1.06472      -0.01359    0.00177   -0.00544
  1.0     0.09580    3.60336   -0.42171       0.04673   -0.00575    0.01882
  1.0     1.72139    1.21415   -0.58832       0.16889   -0.02240    0.06744
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    0.2000      0.02091    -76.42182      -76.40092
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08402    1.90228   -1.06527      -0.01348    0.00174   -0.00540
  1.0     0.10047    3.60279   -0.41982       0.04660   -0.00571    0.01877
  1.0     1.73822    1.21193   -0.58159       0.16730   -0.02187    0.06693
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    0.3000      0.02047    -76.42139      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08267    1.90245   -1.06581      -0.01336    0.00169   -0.00536
  1.0     0.10513    3.60222   -0.41795       0.04655   -0.00566    0.01877
  1.0     1.75486    1.20978   -0.57493       0.16541   -0.02113    0.06636
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    0.4000      0.01990    -76.42081      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08135    1.90262   -1.06634      -0.01319    0.00162   -0.00531
  1.0     0.10978    3.60166   -0.41607       0.04648   -0.00559    0.01877
  1.0     1.77128    1.20771   -0.56833       0.16284   -0.02014    0.06558
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    0.5000      0.01919    -76.42010      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08004    1.90278   -1.06687      -0.01298    0.00154   -0.00525
  1.0     0.11442    3.60110   -0.41419       0.04639   -0.00551    0.01875
  1.0     1.78741    1.20576   -0.56182       0.15966   -0.01893    0.06460
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    0.6000      0.01838    -76.41929      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07875    1.90293   -1.06739      -0.01274    0.00145   -0.00518
  1.0     0.11906    3.60056   -0.41232       0.04628   -0.00542    0.01874
  1.0     1.80320    1.20393   -0.55541       0.15591   -0.01752    0.06345
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    0.7000      0.01748    -76.41840      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07749    1.90306   -1.06790      -0.01246    0.00134   -0.00509
  1.0     0.12368    3.60002   -0.41045       0.04615   -0.00532    0.01872
  1.0     1.81858    1.20226   -0.54913       0.15166   -0.01593    0.06214
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    0.8000      0.01652    -76.41743      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07626    1.90319   -1.06841      -0.01216    0.00122   -0.00500
  1.0     0.12829    3.59949   -0.40858       0.04600   -0.00522    0.01869
  1.0     1.83351    1.20075   -0.54299       0.14695   -0.01419    0.06067
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    0.9000      0.01550    -76.41642      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07506    1.90331   -1.06890      -0.01182    0.00110   -0.00490
  1.0     0.13288    3.59898   -0.40671       0.04583   -0.00511    0.01865
  1.0     1.84795    1.19943   -0.53700       0.14181   -0.01232    0.05907
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    1.0000      0.01445    -76.41536      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07390    1.90341   -1.06939      -0.01146    0.00096   -0.00479
  1.0     0.13745    3.59847   -0.40484       0.04564   -0.00500    0.01861
  1.0     1.86186    1.19829   -0.53118       0.13630   -0.01032    0.05734
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    1.1000      0.01338    -76.41429      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07277    1.90350   -1.06986      -0.01108    0.00083   -0.00467
  1.0     0.14200    3.59798   -0.40299       0.04542   -0.00488    0.01856
  1.0     1.87520    1.19737   -0.52554       0.13044   -0.00822    0.05550
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    1.2000      0.01231    -76.41322      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07168    1.90358   -1.07032      -0.01068    0.00068   -0.00454
  1.0     0.14653    3.59749   -0.40113       0.04519   -0.00478    0.01849
  1.0     1.88794    1.19665   -0.52008       0.12427   -0.00604    0.05355
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    1.3000      0.01124    -76.41215      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07063    1.90364   -1.07077      -0.01026    0.00053   -0.00441
  1.0     0.15104    3.59702   -0.39929       0.04493   -0.00467    0.01842
  1.0     1.90005    1.19616   -0.51483       0.11783   -0.00378    0.05151
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    1.4000      0.01019    -76.41110      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06963    1.90368   -1.07120      -0.00982    0.00038   -0.00427
  1.0     0.15552    3.59656   -0.39745       0.04466   -0.00457    0.01833
  1.0     1.91150    1.19590   -0.50979       0.11114   -0.00146    0.04937
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    1.5000      0.00917    -76.41009      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06867    1.90371   -1.07162      -0.00936    0.00023   -0.00412
  1.0     0.15997    3.59611   -0.39562       0.04435   -0.00448    0.01823
  1.0     1.92227    1.19587   -0.50496       0.10423    0.00090    0.04716
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    1.6000      0.00820    -76.40911      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06776    1.90373   -1.07202      -0.00889    0.00007   -0.00397
  1.0     0.16439    3.59566   -0.39381       0.04403   -0.00441    0.01811
  1.0     1.93234    1.19608   -0.50036       0.09713    0.00331    0.04487
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    1.7000      0.00727    -76.40818      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06689    1.90373   -1.07241      -0.00841   -0.00009   -0.00381
  1.0     0.16878    3.59523   -0.39200       0.04368   -0.00434    0.01798
  1.0     1.94169    1.19653   -0.49599       0.08986    0.00574    0.04252
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    1.8000      0.00639    -76.40730      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06608    1.90371   -1.07279      -0.00792   -0.00025   -0.00365
  1.0     0.17313    3.59479   -0.39021       0.04331   -0.00428    0.01783
  1.0     1.95031    1.19723   -0.49185       0.08243    0.00819    0.04010
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    1.9000      0.00558    -76.40649      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06531    1.90368   -1.07314      -0.00742   -0.00040   -0.00348
  1.0     0.17744    3.59437   -0.38844       0.04291   -0.00424    0.01767
  1.0     1.95817    1.19817   -0.48797       0.07487    0.01066    0.03764
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    2.0000      0.00483    -76.40574      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06459    1.90363   -1.07348      -0.00691   -0.00056   -0.00331
  1.0     0.18171    3.59395   -0.38668       0.04248   -0.00421    0.01749
  1.0     1.96528    1.19936   -0.48433       0.06720    0.01313    0.03512
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    2.1000      0.00415    -76.40507      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06393    1.90357   -1.07381      -0.00639   -0.00072   -0.00314
  1.0     0.18593    3.59353   -0.38494       0.04203   -0.00420    0.01729
  1.0     1.97161    1.20080   -0.48095       0.05943    0.01560    0.03255
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    2.2000      0.00356    -76.40447      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06331    1.90349   -1.07411      -0.00587   -0.00087   -0.00296
  1.0     0.19011    3.59311   -0.38322       0.04154   -0.00421    0.01707
  1.0     1.97716    1.20248   -0.47782       0.05157    0.01806    0.02995
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    2.3000      0.00304    -76.40395      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06275    1.90339   -1.07440      -0.00534   -0.00103   -0.00278
  1.0     0.19424    3.59268   -0.38153       0.04103   -0.00423    0.01683
  1.0     1.98192    1.20441   -0.47496       0.04365    0.02050    0.02731
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    2.4000      0.00260    -76.40351      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06225    1.90328   -1.07467      -0.00480   -0.00118   -0.00260
  1.0     0.19832    3.59226   -0.37986       0.04049   -0.00427    0.01657
  1.0     1.98589    1.20658   -0.47236       0.03567    0.02293    0.02464
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    2.5000      0.00224    -76.40316      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06179    1.90316   -1.07492      -0.00426   -0.00132   -0.00241
  1.0     0.20234    3.59183   -0.37821       0.03993   -0.00432    0.01630
  1.0     1.98905    1.20899   -0.47003       0.02765    0.02533    0.02194
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    2.6000      0.00197    -76.40289      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06139    1.90302   -1.07515      -0.00371   -0.00147   -0.00222
  1.0     0.20630    3.59139   -0.37660       0.03933   -0.00439    0.01600
  1.0     1.99141    1.21164   -0.46797       0.01960    0.02770    0.01921
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    2.7000      0.00179    -76.40270      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06105    1.90286   -1.07536      -0.00316   -0.00161   -0.00203
  1.0     0.21020    3.59095   -0.37501       0.03869   -0.00448    0.01569
  1.0     1.99297    1.21453   -0.46619       0.01153    0.03004    0.01647
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    2.8000      0.00170    -76.40261      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06076    1.90269   -1.07555      -0.00261   -0.00175   -0.00183
  1.0     0.21404    3.59050   -0.37346       0.03803   -0.00458    0.01535
  1.0     1.99372    1.21765   -0.46468       0.00346    0.03234    0.01370
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    2.9000      0.00169    -76.40260      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06053    1.90251   -1.07573      -0.00206   -0.00188   -0.00163
  1.0     0.21781    3.59003   -0.37194       0.03733   -0.00470    0.01499
  1.0     1.99366    1.22100   -0.46345      -0.00461    0.03459    0.01093
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    3.0000      0.00177    -76.40268      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06035    1.90232   -1.07588      -0.00151   -0.00201   -0.00143
  1.0     0.22150    3.58956   -0.37046       0.03660   -0.00483    0.01462
  1.0     1.99280    1.22457   -0.46249      -0.01267    0.03680    0.00814
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    3.1000      0.00193    -76.40285      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06023    1.90211   -1.07601      -0.00095   -0.00214   -0.00123
  1.0     0.22513    3.58907   -0.36902       0.03584   -0.00497    0.01422
  1.0     1.99113    1.22835   -0.46182      -0.02069    0.03895    0.00534
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    3.2000      0.00218    -76.40309      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06016    1.90189   -1.07613      -0.00040   -0.00226   -0.00103
  1.0     0.22867    3.58856   -0.36762       0.03504   -0.00513    0.01380
  1.0     1.98866    1.23235   -0.46143      -0.02868    0.04104    0.00254
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    3.3000      0.00251    -76.40342      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06015    1.90166   -1.07622       0.00015   -0.00238   -0.00083
  1.0     0.23213    3.58804   -0.36626       0.03421   -0.00529    0.01337
  1.0     1.98540    1.23656   -0.46131      -0.03661    0.04307   -0.00026
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    3.4000      0.00292    -76.40383      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06019    1.90141   -1.07629       0.00070   -0.00249   -0.00062
  1.0     0.23551    3.58750   -0.36495       0.03334   -0.00547    0.01291
  1.0     1.98134    1.24097   -0.46148      -0.04448    0.04504   -0.00305
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    3.5000      0.00341    -76.40432      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06029    1.90116   -1.07634       0.00125   -0.00260   -0.00042
  1.0     0.23880    3.58695   -0.36368       0.03243   -0.00565    0.01244
  1.0     1.97650    1.24557   -0.46192      -0.05227    0.04693   -0.00584
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    3.6000      0.00397    -76.40488      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06044    1.90089   -1.07638       0.00179   -0.00270   -0.00021
  1.0     0.24200    3.58637   -0.36246       0.03148   -0.00583    0.01194
  1.0     1.97089    1.25035   -0.46265      -0.05996    0.04874   -0.00862
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    3.7000      0.00459    -76.40551      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06065    1.90062   -1.07639       0.00233   -0.00280    0.00000
  1.0     0.24509    3.58578   -0.36129       0.03050   -0.00602    0.01143
  1.0     1.96451    1.25531   -0.46365      -0.06755    0.05047   -0.01138
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    3.8000      0.00528    -76.40620      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06091    1.90033   -1.07638       0.00287   -0.00289    0.00020
  1.0     0.24809    3.58517   -0.36017       0.02948   -0.00620    0.01090
  1.0     1.95738    1.26044   -0.46492      -0.07501    0.05210   -0.01411
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    3.9000      0.00603    -76.40694      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06122    1.90004   -1.07635       0.00340   -0.00298    0.00041
  1.0     0.25099    3.58454   -0.35911       0.02842   -0.00639    0.01036
  1.0     1.94952    1.26573   -0.46647      -0.08233    0.05364   -0.01682
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    4.0000      0.00683    -76.40774      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06158    1.89974   -1.07630       0.00392   -0.00306    0.00061
  1.0     0.25378    3.58389   -0.35810       0.02733   -0.00657    0.00980
  1.0     1.94092    1.27117   -0.46828      -0.08948    0.05508   -0.01949
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    4.1000      0.00767    -76.40858      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06200    1.89943   -1.07622       0.00443   -0.00313    0.00081
  1.0     0.25645    3.58323   -0.35715       0.02619   -0.00674    0.00922
  1.0     1.93163    1.27674   -0.47036      -0.09645    0.05640   -0.02213
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    4.2000      0.00854    -76.40945      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06247    1.89911   -1.07613       0.00493   -0.00319    0.00101
  1.0     0.25901    3.58254   -0.35626       0.02501   -0.00691    0.00863
  1.0     1.92164    1.28244   -0.47271      -0.10321    0.05760   -0.02471
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    4.3000      0.00944    -76.41035      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06299    1.89879   -1.07602       0.00542   -0.00325    0.00121
  1.0     0.26146    3.58185   -0.35543       0.02380   -0.00706    0.00803
  1.0     1.91099    1.28826   -0.47530      -0.10974    0.05867   -0.02724
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    4.4000      0.01035    -76.41127      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06355    1.89846   -1.07589       0.00589   -0.00330    0.00140
  1.0     0.26377    3.58113   -0.35465       0.02254   -0.00720    0.00741
  1.0     1.89970    1.29417   -0.47815      -0.11601    0.05961   -0.02971
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    4.5000      0.01127    -76.41218      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06416    1.89813   -1.07574       0.00635   -0.00334    0.00160
  1.0     0.26596    3.58041   -0.35394       0.02124   -0.00732    0.00678
  1.0     1.88780    1.30017   -0.48124      -0.12199    0.06040   -0.03210
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    4.6000      0.01218    -76.41309      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06482    1.89779   -1.07557       0.00679   -0.00338    0.00178
  1.0     0.26802    3.57967   -0.35330       0.01990   -0.00743    0.00614
  1.0     1.87531    1.30625   -0.48457      -0.12765    0.06102   -0.03440
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    4.7000      0.01306    -76.41397      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06552    1.89746   -1.07538       0.00721   -0.00340    0.00196
  1.0     0.26994    3.57892   -0.35272       0.01853   -0.00751    0.00549
  1.0     1.86228    1.31237   -0.48812      -0.13296    0.06148   -0.03662
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    4.8000      0.01391    -76.41482      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06626    1.89712   -1.07518       0.00761   -0.00341    0.00214
  1.0     0.27172    3.57817   -0.35220       0.01711   -0.00757    0.00483
  1.0     1.84874    1.31854   -0.49189      -0.13788    0.06175   -0.03872
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    4.9000      0.01470    -76.41561      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06704    1.89677   -1.07496       0.00798   -0.00342    0.00230
  1.0     0.27336    3.57741   -0.35175       0.01565   -0.00760    0.00417
  1.0     1.83472    1.32472   -0.49586      -0.14236    0.06183   -0.04070
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    5.0000      0.01542    -76.41633      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06786    1.89643   -1.07472       0.00833   -0.00341    0.00246
  1.0     0.27485    3.57665   -0.35137       0.01416   -0.00761    0.00349
  1.0     1.82028    1.33089   -0.50003      -0.14637    0.06170   -0.04256
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    5.1000      0.01606    -76.41697      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06871    1.89609   -1.07447       0.00865   -0.00339    0.00261
  1.0     0.27619    3.57589   -0.35105       0.01262   -0.00758    0.00282
  1.0     1.80546    1.33705   -0.50437      -0.14986    0.06134   -0.04426
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    5.2000      0.01660    -76.41751      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06959    1.89576   -1.07420       0.00893   -0.00335    0.00275
  1.0     0.27737    3.57513   -0.35080       0.01105   -0.00752    0.00213
  1.0     1.79032    1.34315   -0.50887      -0.15279    0.06075   -0.04579
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    5.3000      0.01701    -76.41793      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07049    1.89542   -1.07392       0.00918   -0.00331    0.00288
  1.0     0.27840    3.57438   -0.35063       0.00944   -0.00743    0.00144
  1.0     1.77492    1.34919   -0.51352      -0.15510    0.05990   -0.04715
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    5.4000      0.01730    -76.41821      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07142    1.89509   -1.07362       0.00939   -0.00324    0.00300
  1.0     0.27926    3.57365   -0.35052       0.00779   -0.00730    0.00075
  1.0     1.75933    1.35512   -0.51829      -0.15674    0.05878   -0.04831
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    5.5000      0.01743    -76.41834      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07237    1.89477   -1.07332       0.00955   -0.00317    0.00310
  1.0     0.27996    3.57292   -0.35048       0.00611   -0.00714    0.00006
  1.0     1.74360    1.36093   -0.52317      -0.15766    0.05737   -0.04925
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    5.6000      0.01739    -76.41830      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07333    1.89446   -1.07300       0.00967   -0.00307    0.00319
  1.0     0.28048    3.57222   -0.35050       0.00440   -0.00694   -0.00064
  1.0     1.72782    1.36659   -0.52814      -0.15780    0.05566   -0.04995
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    5.7000      0.01718    -76.41809      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07430    1.89416   -1.07268       0.00973   -0.00296    0.00326
  1.0     0.28083    3.57154   -0.35060       0.00265   -0.00670   -0.00133
  1.0     1.71207    1.37206   -0.53316      -0.15711    0.05363   -0.05040
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    5.8000      0.01679    -76.41770      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07527    1.89387   -1.07235       0.00975   -0.00283    0.00331
  1.0     0.28101    3.57088   -0.35077       0.00087   -0.00642   -0.00202
  1.0     1.69643    1.37730   -0.53821      -0.15554    0.05127   -0.05058
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    5.9000      0.01621    -76.41712      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07625    1.89360   -1.07202       0.00970   -0.00267    0.00335
  1.0     0.28101    3.57025   -0.35101      -0.00093   -0.00611   -0.00272
  1.0     1.68099    1.38230   -0.54326      -0.15304    0.04856   -0.05048
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    6.0000      0.01544    -76.41636      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07721    1.89334   -1.07168       0.00960   -0.00250    0.00337
  1.0     0.28082    3.56966   -0.35131      -0.00275   -0.00575   -0.00340
  1.0     1.66585    1.38700   -0.54829      -0.14956    0.04549   -0.05007
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    6.1000      0.01451    -76.41542      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07816    1.89310   -1.07134       0.00943   -0.00231    0.00337
  1.0     0.28046    3.56911   -0.35169      -0.00460   -0.00536   -0.00409
  1.0     1.65111    1.39138   -0.55327      -0.14506    0.04204   -0.04934
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    6.2000      0.01340    -76.41432      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07910    1.89288   -1.07101       0.00920   -0.00210    0.00334
  1.0     0.27990    3.56859   -0.35213      -0.00647   -0.00493   -0.00476
  1.0     1.63687    1.39540   -0.55815      -0.13953    0.03822   -0.04829
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    6.3000      0.01216    -76.41308      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08000    1.89268   -1.07068       0.00890   -0.00186    0.00330
  1.0     0.27916    3.56812   -0.35264      -0.00835   -0.00447   -0.00543
  1.0     1.62324    1.39902   -0.56291      -0.13293    0.03402   -0.04690
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    6.4000      0.01081    -76.41173      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08087    1.89250   -1.07035       0.00854   -0.00160    0.00323
  1.0     0.27823    3.56770   -0.35322      -0.01025   -0.00397   -0.00610
  1.0     1.61032    1.40219   -0.56752      -0.12526    0.02943   -0.04518
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    6.5000      0.00939    -76.41030      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08171    1.89236   -1.07003       0.00811   -0.00133    0.00314
  1.0     0.27711    3.56733   -0.35386      -0.01215   -0.00343   -0.00675
  1.0     1.59823    1.40489   -0.57194      -0.11653    0.02446   -0.04312
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    6.6000      0.00794    -76.40885      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08249    1.89224   -1.06972       0.00761   -0.00102    0.00303
  1.0     0.27580    3.56701   -0.35457      -0.01406   -0.00287   -0.00740
  1.0     1.58705    1.40707   -0.57613      -0.10678    0.01913   -0.04074
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    6.7000      0.00651    -76.40742      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08323    1.89215   -1.06943       0.00706   -0.00070    0.00290
  1.0     0.27430    3.56675   -0.35534      -0.01597   -0.00228   -0.00804
  1.0     1.57690    1.40870   -0.58008      -0.09604    0.01346   -0.03805
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    6.8000      0.00515    -76.40606      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08390    1.89210   -1.06914       0.00644   -0.00036    0.00276
  1.0     0.27261    3.56656   -0.35617      -0.01788   -0.00166   -0.00866
  1.0     1.56788    1.40975   -0.58373      -0.08438    0.00746   -0.03507
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    6.9000      0.00392    -76.40484      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08452    1.89208   -1.06887       0.00578   -0.00001    0.00259
  1.0     0.27072    3.56642   -0.35707      -0.01977   -0.00102   -0.00927
  1.0     1.56006    1.41019   -0.58708      -0.07191    0.00116   -0.03183
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    7.0000      0.00287    -76.40379      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08506    1.89210   -1.06862       0.00506    0.00036    0.00241
  1.0     0.26865    3.56635   -0.35803      -0.02166   -0.00036   -0.00987
  1.0     1.55352    1.40998   -0.59009      -0.05871   -0.00538   -0.02836
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    7.1000      0.00205    -76.40297      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08553    1.89215   -1.06839       0.00431    0.00074    0.00222
  1.0     0.26639    3.56635   -0.35904      -0.02352    0.00031   -0.01045
  1.0     1.54833    1.40910   -0.59275      -0.04493   -0.01214   -0.02470
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    7.2000      0.00150    -76.40241      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08592    1.89225   -1.06818       0.00353    0.00114    0.00201
  1.0     0.26395    3.56642   -0.36012      -0.02537    0.00100   -0.01102
  1.0     1.54455    1.40754   -0.59503      -0.03071   -0.01905   -0.02091
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    7.3000      0.00124    -76.40216      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08623    1.89238   -1.06799       0.00273    0.00153    0.00180
  1.0     0.26132    3.56655   -0.36125      -0.02718    0.00171   -0.01157
  1.0     1.54220    1.40529   -0.59693      -0.01619   -0.02606   -0.01702
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    7.4000      0.00130    -76.40221      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08647    1.89255   -1.06782       0.00192    0.00193    0.00159
  1.0     0.25851    3.56676   -0.36243      -0.02896    0.00242   -0.01210
  1.0     1.54131    1.40233   -0.59843      -0.00156   -0.03310   -0.01309
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    7.5000      0.00167    -76.40258      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08662    1.89277   -1.06767       0.00111    0.00233    0.00137
  1.0     0.25553    3.56704   -0.36367      -0.03070    0.00314   -0.01262
  1.0     1.54189    1.39867   -0.59954       0.01303   -0.04013   -0.00918
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    7.6000      0.00235    -76.40326      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08669    1.89302   -1.06755       0.00032    0.00272    0.00116
  1.0     0.25237    3.56739   -0.36495      -0.03240    0.00386   -0.01311
  1.0     1.54391    1.39431   -0.60027       0.02740   -0.04706   -0.00533
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    7.7000      0.00331    -76.40422      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08668    1.89331   -1.06744      -0.00046    0.00310    0.00096
  1.0     0.24905    3.56781   -0.36629      -0.03406    0.00458   -0.01358
  1.0     1.54736    1.38926   -0.60061       0.04139   -0.05385   -0.00159
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    7.8000      0.00451    -76.40542      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08660    1.89364   -1.06736      -0.00121    0.00347    0.00076
  1.0     0.24556    3.56830   -0.36767      -0.03566    0.00530   -0.01403
  1.0     1.55217    1.38355   -0.60059       0.05485   -0.06043    0.00199
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    7.9000      0.00590    -76.40682      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08644    1.89401   -1.06729      -0.00192    0.00383    0.00057
  1.0     0.24192    3.56887   -0.36909      -0.03721    0.00602   -0.01446
  1.0     1.55830    1.37719   -0.60022       0.06765   -0.06675    0.00536
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    8.0000      0.00745    -76.40836      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08622    1.89440   -1.06724      -0.00258    0.00416    0.00040
  1.0     0.23812    3.56951   -0.37056      -0.03871    0.00673   -0.01486
  1.0     1.56568    1.37021   -0.59953       0.07966   -0.07276    0.00850
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    8.1000      0.00908    -76.41000      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08593    1.89484   -1.06721      -0.00319    0.00447    0.00024
  1.0     0.23418    3.57021   -0.37207      -0.04014    0.00743   -0.01524
  1.0     1.57421    1.36265   -0.59853       0.09079   -0.07841    0.01138
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    8.2000      0.01075    -76.41166      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08558    1.89530   -1.06719      -0.00375    0.00476    0.00010
  1.0     0.23010    3.57099   -0.37361      -0.04151    0.00812   -0.01560
  1.0     1.58380    1.35454   -0.59726       0.10096   -0.08367    0.01397
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    8.3000      0.01240    -76.41331      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08518    1.89579   -1.06719      -0.00424    0.00502   -0.00002
  1.0     0.22588    3.57184   -0.37519      -0.04281    0.00880   -0.01593
  1.0     1.59437    1.34593   -0.59575       0.11011   -0.08850    0.01627
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    8.4000      0.01398    -76.41490      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08473    1.89630   -1.06720      -0.00467    0.00526   -0.00013
  1.0     0.22154    3.57275   -0.37679      -0.04405    0.00947   -0.01623
  1.0     1.60579    1.33685   -0.59402       0.11821   -0.09289    0.01826
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    8.5000      0.01545    -76.41637      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08425    1.89684   -1.06721      -0.00504    0.00546   -0.00022
  1.0     0.21708    3.57373   -0.37843      -0.04521    0.01012   -0.01651
  1.0     1.61797    1.32736   -0.59211       0.12523   -0.09682    0.01994
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    8.6000      0.01678    -76.41769      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08373    1.89739   -1.06724      -0.00535    0.00564   -0.00029
  1.0     0.21250    3.57478   -0.38010      -0.04630    0.01076   -0.01676
  1.0     1.63080    1.31751   -0.59004       0.13118   -0.10028    0.02131
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    8.7000      0.01793    -76.41885      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08318    1.89797   -1.06727      -0.00559    0.00579   -0.00034
  1.0     0.20782    3.57588   -0.38178      -0.04732    0.01138   -0.01699
  1.0     1.64417    1.30732   -0.58785       0.13606   -0.10328    0.02238
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    8.8000      0.01890    -76.41981      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08261    1.89855   -1.06730      -0.00577    0.00591   -0.00038
  1.0     0.20304    3.57705   -0.38349      -0.04827    0.01198   -0.01719
  1.0     1.65798    1.29687   -0.58557       0.13992   -0.10580    0.02316
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    8.9000      0.01966    -76.42057      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08203    1.89915   -1.06734      -0.00590    0.00600   -0.00040
  1.0     0.19817    3.57828   -0.38522      -0.04914    0.01256   -0.01736
  1.0     1.67212    1.28618   -0.58323       0.14277   -0.10786    0.02367
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    9.0000      0.02021    -76.42113      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08143    1.89975   -1.06738      -0.00597    0.00607   -0.00040
  1.0     0.19321    3.57956   -0.38696      -0.04993    0.01312   -0.01751
  1.0     1.68650    1.27531   -0.58085       0.14467   -0.10947    0.02392
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    9.1000      0.02056    -76.42148      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08083    1.90036   -1.06742      -0.00599    0.00611   -0.00040
  1.0     0.18818    3.58090   -0.38872      -0.05065    0.01367   -0.01763
  1.0     1.70102    1.26430   -0.57845       0.14566   -0.11064    0.02393
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    9.2000      0.02071    -76.42162      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08024    1.90097   -1.06746      -0.00595    0.00613   -0.00038
  1.0     0.18308    3.58230   -0.39049      -0.05130    0.01418   -0.01772
  1.0     1.71560    1.25319   -0.57607       0.14580   -0.11140    0.02370
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    9.3000      0.02067    -76.42158      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07964    1.90158   -1.06750      -0.00588    0.00612   -0.00035
  1.0     0.17793    3.58374   -0.39226      -0.05187    0.01468   -0.01779
  1.0     1.73016    1.24203   -0.57372       0.14513   -0.11175    0.02327
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    9.4000      0.02045    -76.42136      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07906    1.90219   -1.06753      -0.00576    0.00608   -0.00030
  1.0     0.17271    3.58523   -0.39404      -0.05237    0.01515   -0.01784
  1.0     1.74461    1.23086   -0.57142       0.14372   -0.11171    0.02265
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    9.5000      0.02007    -76.42099      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07849    1.90280   -1.06756      -0.00560    0.00603   -0.00025
  1.0     0.16745    3.58677   -0.39583      -0.05279    0.01560   -0.01786
  1.0     1.75888    1.21970   -0.56919       0.14162   -0.11132    0.02186
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    9.6000      0.01955    -76.42047      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07794    1.90340   -1.06758      -0.00540    0.00596   -0.00019
  1.0     0.16216    3.58835   -0.39762      -0.05315    0.01602   -0.01786
  1.0     1.77291    1.20861   -0.56706       0.13888   -0.11057    0.02091
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    9.7000      0.01891    -76.41982      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07742    1.90399   -1.06760      -0.00518    0.00587   -0.00012
  1.0     0.15683    3.58997   -0.39940      -0.05343    0.01642   -0.01784
  1.0     1.78664    1.19760   -0.56502       0.13557   -0.10951    0.01982
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    9.8000      0.01815    -76.41907      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07691    1.90457   -1.06761      -0.00492    0.00576   -0.00005
  1.0     0.15147    3.59163   -0.40118      -0.05365    0.01678   -0.01780
  1.0     1.80000    1.18671   -0.56310       0.13172   -0.10814    0.01860
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
    9.9000      0.01731    -76.41823      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07643    1.90514   -1.06761      -0.00464    0.00563    0.00003
  1.0     0.14610    3.59333   -0.40296      -0.05380    0.01712   -0.01774
  1.0     1.81296    1.17598   -0.56130       0.12739   -0.10649    0.01728
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   10.0000      0.01640    -76.41731      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07598    1.90570   -1.06760      -0.00433    0.00549    0.00011
  1.0     0.14071    3.59506   -0.40473      -0.05389    0.01743   -0.01767
  1.0     1.82547    1.16543   -0.55964       0.12261   -0.10457    0.01585
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   10.1000      0.01544    -76.41635      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07557    1.90624   -1.06758      -0.00400    0.00534    0.00020
  1.0     0.13532    3.59681   -0.40649      -0.05391    0.01770   -0.01757
  1.0     1.83747    1.15507   -0.55813       0.11744   -0.10241    0.01434
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   10.2000      0.01443    -76.41535      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07518    1.90677   -1.06756      -0.00366    0.00517    0.00030
  1.0     0.12993    3.59860   -0.40825      -0.05387    0.01795   -0.01747
  1.0     1.84894    1.14495   -0.55678       0.11191   -0.10001    0.01276
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   10.3000      0.01341    -76.41432      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07484    1.90727   -1.06753      -0.00329    0.00499    0.00039
  1.0     0.12455    3.60040   -0.40999      -0.05377    0.01815   -0.01734
  1.0     1.85984    1.13508   -0.55558       0.10606   -0.09740    0.01111
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   10.4000      0.01238    -76.41329      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07453    1.90776   -1.06748      -0.00292    0.00481    0.00049
  1.0     0.11918    3.60223   -0.41171      -0.05361    0.01833   -0.01721
  1.0     1.87015    1.12548   -0.55456       0.09991   -0.09459    0.00940
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   10.5000      0.01135    -76.41226      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07425    1.90823   -1.06743      -0.00253    0.00461    0.00059
  1.0     0.11383    3.60406   -0.41343      -0.05340    0.01846   -0.01706
  1.0     1.87982    1.11617   -0.55370       0.09351   -0.09159    0.00765
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   10.6000      0.01034    -76.41125      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07402    1.90868   -1.06736      -0.00213    0.00440    0.00070
  1.0     0.10850    3.60592   -0.41513      -0.05313    0.01856   -0.01690
  1.0     1.88884    1.10717   -0.55303       0.08688   -0.08842    0.00587
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   10.7000      0.00936    -76.41027      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07383    1.90911   -1.06729      -0.00172    0.00419    0.00080
  1.0     0.10321    3.60777   -0.41681      -0.05281    0.01861   -0.01674
  1.0     1.89719    1.09849   -0.55253       0.08005   -0.08510    0.00404
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   10.8000      0.00842    -76.40933      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07368    1.90952   -1.06720      -0.00130    0.00397    0.00091
  1.0     0.09794    3.60964   -0.41847      -0.05244    0.01863   -0.01657
  1.0     1.90484    1.09015   -0.55222       0.07304   -0.08162    0.00220
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   10.9000      0.00752    -76.40843      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07357    1.90991   -1.06711      -0.00087    0.00374    0.00101
  1.0     0.09272    3.61150   -0.42012      -0.05202    0.01860   -0.01639
  1.0     1.91179    1.08217   -0.55209       0.06587   -0.07802    0.00033
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   11.0000      0.00668    -76.40759      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07350    1.91027   -1.06700      -0.00044    0.00351    0.00112
  1.0     0.08754    3.61336   -0.42175      -0.05155    0.01853   -0.01620
  1.0     1.91801    1.07455   -0.55215       0.05857   -0.07428   -0.00154
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   11.1000      0.00590    -76.40682      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07348    1.91061   -1.06688      -0.00001    0.00328    0.00123
  1.0     0.08241    3.61520   -0.42336      -0.05103    0.01842   -0.01601
  1.0     1.92350    1.06731   -0.55240       0.05115   -0.07043   -0.00343
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   11.2000      0.00519    -76.40610      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07350    1.91093   -1.06675       0.00043    0.00304    0.00133
  1.0     0.07734    3.61704   -0.42495      -0.05047    0.01825   -0.01582
  1.0     1.92824    1.06047   -0.55284       0.04363   -0.06648   -0.00533
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   11.3000      0.00455    -76.40547      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07357    1.91122   -1.06662       0.00087    0.00280    0.00144
  1.0     0.07232    3.61885   -0.42653      -0.04987    0.01805   -0.01563
  1.0     1.93222    1.05402   -0.55347       0.03603   -0.06243   -0.00722
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   11.4000      0.00399    -76.40491      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07368    1.91149   -1.06647       0.00131    0.00255    0.00155
  1.0     0.06737    3.62065   -0.42808      -0.04922    0.01779   -0.01543
  1.0     1.93544    1.04799   -0.55428       0.02836   -0.05829   -0.00911
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   11.5000      0.00352    -76.40443      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07383    1.91173   -1.06631       0.00176    0.00230    0.00165
  1.0     0.06248    3.62241   -0.42961      -0.04853    0.01749   -0.01524
  1.0     1.93789    1.04237   -0.55529       0.02063   -0.05407   -0.01100
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   11.6000      0.00312    -76.40403      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07403    1.91195   -1.06614       0.00220    0.00206    0.00176
  1.0     0.05766    3.62414   -0.43113      -0.04781    0.01714   -0.01505
  1.0     1.93957    1.03717   -0.55648       0.01287   -0.04977   -0.01287
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   11.7000      0.00281    -76.40373      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07427    1.91214   -1.06596       0.00264    0.00181    0.00186
  1.0     0.05292    3.62584   -0.43262      -0.04705    0.01674   -0.01485
  1.0     1.94047    1.03241   -0.55786       0.00507   -0.04541   -0.01474
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   11.8000      0.00260    -76.40351      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07456    1.91231   -1.06576       0.00309    0.00156    0.00197
  1.0     0.04825    3.62749   -0.43410      -0.04625    0.01629   -0.01467
  1.0     1.94058    1.02809   -0.55943      -0.00273   -0.04100   -0.01659
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   11.9000      0.00247    -76.40338      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07489    1.91245   -1.06556       0.00353    0.00131    0.00207
  1.0     0.04367    3.62909   -0.43556      -0.04542    0.01579   -0.01448
  1.0     1.93992    1.02422   -0.56118      -0.01055   -0.03653   -0.01842
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   12.0000      0.00244    -76.40335      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07526    1.91257   -1.06535       0.00396    0.00106    0.00218
  1.0     0.03917    3.63064   -0.43699      -0.04455    0.01524   -0.01429
  1.0     1.93848    1.02079   -0.56311      -0.01835   -0.03201   -0.02023
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   12.1000      0.00249    -76.40341      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07568    1.91266   -1.06513       0.00440    0.00081    0.00228
  1.0     0.03476    3.63214   -0.43842      -0.04365    0.01464   -0.01412
  1.0     1.93625    1.01782   -0.56523      -0.02613   -0.02746   -0.02202
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   12.2000      0.00264    -76.40355      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07614    1.91273   -1.06489       0.00483    0.00056    0.00238
  1.0     0.03044    3.63357   -0.43982      -0.04272    0.01400   -0.01394
  1.0     1.93325    1.01530   -0.56752      -0.03388   -0.02288   -0.02378
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   12.3000      0.00288    -76.40379      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07664    1.91277   -1.06465       0.00525    0.00031    0.00248
  1.0     0.02622    3.63494   -0.44120      -0.04177    0.01331   -0.01377
  1.0     1.92948    1.01324   -0.56998      -0.04158   -0.01828   -0.02551
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   12.4000      0.00321    -76.40412      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07719    1.91279   -1.06440       0.00567    0.00007    0.00257
  1.0     0.02209    3.63623   -0.44257      -0.04078    0.01257   -0.01360
  1.0     1.92494    1.01164   -0.57262      -0.04923   -0.01366   -0.02722
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   12.5000      0.00363    -76.40454      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07778    1.91279   -1.06414       0.00608   -0.00017    0.00267
  1.0     0.01806    3.63745   -0.44392      -0.03977    0.01179   -0.01344
  1.0     1.91963    1.01051   -0.57542      -0.05681   -0.00904   -0.02888
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   12.6000      0.00412    -76.40504      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07841    1.91276   -1.06387       0.00649   -0.00041    0.00276
  1.0     0.01414    3.63859   -0.44526      -0.03873    0.01096   -0.01329
  1.0     1.91358    1.00984   -0.57839      -0.06430   -0.00441   -0.03051
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   12.7000      0.00470    -76.40562      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07908    1.91271   -1.06358       0.00689   -0.00065    0.00285
  1.0     0.01032    3.63964   -0.44658      -0.03767    0.01009   -0.01314
  1.0     1.90678    1.00963   -0.58153      -0.07169    0.00020   -0.03210
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   12.8000      0.00536    -76.40627      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07979    1.91263   -1.06330       0.00728   -0.00088    0.00294
  1.0     0.00660    3.64060   -0.44789      -0.03658    0.00917   -0.01299
  1.0     1.89924    1.00988   -0.58481      -0.07896    0.00479   -0.03364
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   12.9000      0.00609    -76.40700      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08053    1.91253   -1.06300       0.00766   -0.00111    0.00302
  1.0     0.00300    3.64147   -0.44918      -0.03548    0.00822   -0.01285
  1.0     1.89099    1.01058   -0.58825      -0.08610    0.00936   -0.03514
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   13.0000      0.00688    -76.40779      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08132    1.91241   -1.06269       0.00803   -0.00133    0.00311
  1.0    -0.00049    3.64225   -0.45046      -0.03435    0.00723   -0.01272
  1.0     1.88203    1.01175   -0.59184      -0.09309    0.01388   -0.03658
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   13.1000      0.00773    -76.40864      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08214    1.91226   -1.06238       0.00839   -0.00155    0.00319
  1.0    -0.00387    3.64292   -0.45172      -0.03321    0.00621   -0.01259
  1.0     1.87238    1.01336   -0.59557      -0.09990    0.01835   -0.03797
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   13.2000      0.00862    -76.40954      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08299    1.91210   -1.06205       0.00873   -0.00176    0.00326
  1.0    -0.00713    3.64349   -0.45298      -0.03205    0.00515   -0.01246
  1.0     1.86205    1.01541   -0.59943      -0.10652    0.02275   -0.03929
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   13.3000      0.00956    -76.41047      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08388    1.91191   -1.06172       0.00906   -0.00196    0.00333
  1.0    -0.01028    3.64395   -0.45422      -0.03087    0.00407   -0.01234
  1.0     1.85108    1.01791   -0.60342      -0.11293    0.02708   -0.04054
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   13.4000      0.01053    -76.41144      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08481    1.91171   -1.06139       0.00937   -0.00216    0.00340
  1.0    -0.01331    3.64430   -0.45545      -0.02968    0.00295   -0.01223
  1.0     1.83948    1.02083   -0.60754      -0.11908    0.03131   -0.04172
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   13.5000      0.01152    -76.41243      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08576    1.91148   -1.06104       0.00967   -0.00235    0.00346
  1.0    -0.01621    3.64454   -0.45666      -0.02848    0.00181   -0.01212
  1.0     1.82727    1.02416   -0.61176      -0.12497    0.03542   -0.04282
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   13.6000      0.01251    -76.41342      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08674    1.91124   -1.06070       0.00994   -0.00252    0.00352
  1.0    -0.01900    3.64466   -0.45787      -0.02727    0.00065   -0.01201
  1.0     1.81449    1.02791   -0.61610      -0.13054    0.03941   -0.04382
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   13.7000      0.01349    -76.41440      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08775    1.91098   -1.06034       0.01020   -0.00269    0.00357
  1.0    -0.02167    3.64467   -0.45906      -0.02605   -0.00053   -0.01190
  1.0     1.80118    1.03204   -0.62053      -0.13578    0.04325   -0.04474
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   13.8000      0.01444    -76.41535      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08878    1.91070   -1.05998       0.01043   -0.00285    0.00361
  1.0    -0.02421    3.64455   -0.46025      -0.02482   -0.00173   -0.01180
  1.0     1.78735    1.03655   -0.62504      -0.14063    0.04691   -0.04554
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   13.9000      0.01536    -76.41627      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08983    1.91041   -1.05962       0.01063   -0.00299    0.00365
  1.0    -0.02663    3.64432   -0.46142      -0.02359   -0.00294   -0.01170
  1.0     1.77306    1.04142   -0.62963      -0.14508    0.05038   -0.04624
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   14.0000      0.01621    -76.41712      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09090    1.91010   -1.05925       0.01080   -0.00312    0.00368
  1.0    -0.02893    3.64397   -0.46259      -0.02235   -0.00415   -0.01160
  1.0     1.75835    1.04662   -0.63428      -0.14906    0.05364   -0.04680
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   14.1000      0.01698    -76.41789      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09199    1.90978   -1.05888       0.01094   -0.00323    0.00370
  1.0    -0.03110    3.64349   -0.46374      -0.02111   -0.00537   -0.01150
  1.0     1.74327    1.05214   -0.63899      -0.15254    0.05665   -0.04724
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   14.2000      0.01766    -76.41857      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09309    1.90946   -1.05851       0.01105   -0.00333    0.00371
  1.0    -0.03315    3.64289   -0.46489      -0.01987   -0.00659   -0.01140
  1.0     1.72786    1.05794   -0.64373      -0.15546    0.05939   -0.04752
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   14.3000      0.01821    -76.41912      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09420    1.90912   -1.05814       0.01112   -0.00340    0.00371
  1.0    -0.03508    3.64217   -0.46603      -0.01863   -0.00781   -0.01130
  1.0     1.71220    1.06400   -0.64849      -0.15778    0.06182   -0.04765
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   14.4000      0.01863    -76.41954      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09531    1.90878   -1.05777       0.01114   -0.00346    0.00371
  1.0    -0.03688    3.64133   -0.46715      -0.01740   -0.00901   -0.01120
  1.0     1.69633    1.07029   -0.65325      -0.15944    0.06392   -0.04761
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   14.5000      0.01888    -76.41980      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09642    1.90843   -1.05740       0.01112   -0.00349    0.00368
  1.0    -0.03856    3.64037   -0.46826      -0.01616   -0.01021   -0.01109
  1.0     1.68033    1.07677   -0.65800      -0.16037    0.06565   -0.04738
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   14.6000      0.01896    -76.41987      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09753    1.90808   -1.05703       0.01106   -0.00350    0.00365
  1.0    -0.04011    3.63929   -0.46937      -0.01494   -0.01138   -0.01098
  1.0     1.66428    1.08341   -0.66272      -0.16053    0.06698   -0.04695
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   14.7000      0.01885    -76.41976      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09863    1.90773   -1.05667       0.01094   -0.00349    0.00360
  1.0    -0.04154    3.63809   -0.47046      -0.01372   -0.01254   -0.01087
  1.0     1.64825    1.09016   -0.66738      -0.15986    0.06788   -0.04631
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   14.8000      0.01853    -76.41944      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09972    1.90738   -1.05631       0.01076   -0.00344    0.00354
  1.0    -0.04285    3.63678   -0.47154      -0.01250   -0.01366   -0.01074
  1.0     1.63234    1.09697   -0.67197      -0.15829    0.06831   -0.04545
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   14.9000      0.01799    -76.41890      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10078    1.90704   -1.05596       0.01053   -0.00337    0.00346
  1.0    -0.04404    3.63536   -0.47261      -0.01130   -0.01475   -0.01061
  1.0     1.61663    1.10380   -0.67647      -0.15578    0.06824   -0.04434
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   15.0000      0.01724    -76.41815      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10182    1.90671   -1.05562       0.01023   -0.00327    0.00337
  1.0    -0.04511    3.63384   -0.47366      -0.01011   -0.01580   -0.01047
  1.0     1.60122    1.11060   -0.68083      -0.15226    0.06764   -0.04299
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   15.1000      0.01628    -76.41719      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10283    1.90639   -1.05529       0.00987   -0.00313    0.00326
  1.0    -0.04607    3.63220   -0.47470      -0.00893   -0.01680   -0.01032
  1.0     1.58621    1.11731   -0.68506      -0.14771    0.06648   -0.04138
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   15.2000      0.01512    -76.41603      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10379    1.90608   -1.05497       0.00944   -0.00296    0.00313
  1.0    -0.04690    3.63048   -0.47573      -0.00777   -0.01776   -0.01015
  1.0     1.57171    1.12388   -0.68910      -0.14207    0.06475   -0.03950
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   15.3000      0.01377    -76.41469      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10471    1.90580   -1.05466       0.00894   -0.00276    0.00298
  1.0    -0.04762    3.62865   -0.47673      -0.00662   -0.01865   -0.00997
  1.0     1.55783    1.13024   -0.69295      -0.13532    0.06241   -0.03734
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   15.4000      0.01228    -76.41319      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10558    1.90553   -1.05437       0.00838   -0.00252    0.00282
  1.0    -0.04823    3.62675   -0.47772      -0.00548   -0.01949   -0.00977
  1.0     1.54468    1.13634   -0.69656      -0.12745    0.05948   -0.03491
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   15.5000      0.01067    -76.41159      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10639    1.90530   -1.05410       0.00774   -0.00225    0.00263
  1.0    -0.04872    3.62476   -0.47869      -0.00436   -0.02025   -0.00956
  1.0     1.53238    1.14212   -0.69992      -0.11846    0.05593   -0.03220
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   15.6000      0.00901    -76.40992      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10713    1.90509   -1.05385       0.00703   -0.00194    0.00243
  1.0    -0.04910    3.62270   -0.47963      -0.00325   -0.02094   -0.00932
  1.0     1.52103    1.14751   -0.70299      -0.10838    0.05179   -0.02922
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   15.7000      0.00733    -76.40824      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10779    1.90491   -1.05362       0.00626   -0.00161    0.00221
  1.0    -0.04937    3.62058   -0.48055      -0.00217   -0.02154   -0.00906
  1.0     1.51074    1.15245   -0.70575      -0.09724    0.04708   -0.02599
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   15.8000      0.00571    -76.40662      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10838    1.90476   -1.05341       0.00543   -0.00125    0.00197
  1.0    -0.04953    3.61840   -0.48144      -0.00110   -0.02205   -0.00877
  1.0     1.50161    1.15690   -0.70818      -0.08511    0.04183   -0.02251
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   15.9000      0.00420    -76.40511      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10888    1.90466   -1.05322       0.00455   -0.00086    0.00172
  1.0    -0.04959    3.61617   -0.48230      -0.00004   -0.02247   -0.00845
  1.0     1.49375    1.16080   -0.71025      -0.07209    0.03608   -0.01882
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   16.0000      0.00287    -76.40379      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10928    1.90459   -1.05306       0.00361   -0.00045    0.00145
  1.0    -0.04954    3.61391   -0.48313       0.00099   -0.02278   -0.00811
  1.0     1.48722    1.16411   -0.71194      -0.05828    0.02991   -0.01493
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   16.1000      0.00178    -76.40269      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10960    1.90457   -1.05293       0.00263   -0.00002    0.00117
  1.0    -0.04939    3.61162   -0.48392       0.00201   -0.02299   -0.00773
  1.0     1.48211    1.16677   -0.71323      -0.04381    0.02337   -0.01089
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   16.2000      0.00097    -76.40188      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10981    1.90459   -1.05283       0.00163    0.00041    0.00088
  1.0    -0.04914    3.60931   -0.48468       0.00301   -0.02309   -0.00731
  1.0     1.47848    1.16877   -0.71411      -0.02885    0.01656   -0.00672
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   16.3000      0.00048    -76.40140      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10992    1.90465   -1.05276       0.00060    0.00085    0.00059
  1.0    -0.04879    3.60700   -0.48538       0.00399   -0.02306   -0.00686
  1.0     1.47636    1.17008   -0.71457      -0.01354    0.00956   -0.00247
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   16.4000      0.00034    -76.40125      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10993    1.90476   -1.05271      -0.00043    0.00129    0.00029
  1.0    -0.04834    3.60470   -0.48605       0.00496   -0.02292   -0.00637
  1.0     1.47577    1.17068   -0.71460       0.00193    0.00247    0.00182
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   16.5000      0.00055    -76.40146      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10983    1.90491   -1.05270      -0.00147    0.00172   -0.00002
  1.0    -0.04780    3.60243   -0.48666       0.00591   -0.02263   -0.00584
  1.0     1.47674    1.17057   -0.71421       0.01739   -0.00462    0.00610
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   16.6000      0.00110    -76.40201      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10964    1.90510   -1.05272      -0.00249    0.00213   -0.00032
  1.0    -0.04716    3.60018   -0.48721       0.00685   -0.02221   -0.00526
  1.0     1.47925    1.16976   -0.71338       0.03263   -0.01160    0.01033
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   16.7000      0.00196    -76.40288      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10934    1.90533   -1.05276      -0.00348    0.00252   -0.00062
  1.0    -0.04643    3.59799   -0.48771       0.00777   -0.02165   -0.00464
  1.0     1.48326    1.16826   -0.71214       0.04750   -0.01838    0.01447
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   16.8000      0.00310    -76.40401      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10894    1.90561   -1.05284      -0.00444    0.00289   -0.00091
  1.0    -0.04561    3.59586   -0.48814       0.00868   -0.02095   -0.00397
  1.0     1.48873    1.16609   -0.71050       0.06182   -0.02487    0.01847
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   16.9000      0.00446    -76.40537      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10845    1.90591   -1.05295      -0.00536    0.00322   -0.00120
  1.0    -0.04469    3.59380   -0.48850       0.00957   -0.02012   -0.00325
  1.0     1.49560    1.16330   -0.70846       0.07546   -0.03098    0.02230
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   17.0000      0.00599    -76.40690      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10787    1.90625   -1.05308      -0.00622    0.00352   -0.00148
  1.0    -0.04369    3.59184   -0.48879       0.01046   -0.01914   -0.00249
  1.0     1.50379    1.15991   -0.70604       0.08828   -0.03667    0.02593
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   17.1000      0.00761    -76.40853      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10721    1.90661   -1.05324      -0.00703    0.00377   -0.00174
  1.0    -0.04260    3.58998   -0.48900       0.01133   -0.01803   -0.00168
  1.0     1.51322    1.15598   -0.70328       0.10018   -0.04185    0.02933
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   17.2000      0.00928    -76.41019      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10647    1.90700   -1.05343      -0.00777    0.00399   -0.00199
  1.0    -0.04143    3.58824   -0.48912       0.01220   -0.01679   -0.00082
  1.0     1.52379    1.15156   -0.70019       0.11108   -0.04650    0.03248
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   17.3000      0.01092    -76.41183      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10566    1.90741   -1.05364      -0.00844    0.00416   -0.00223
  1.0    -0.04016    3.58663   -0.48916       0.01306   -0.01541    0.00008
  1.0     1.53540    1.14670   -0.69679       0.12091   -0.05058    0.03536
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   17.4000      0.01249    -76.41341      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10478    1.90783   -1.05387      -0.00904    0.00428   -0.00246
  1.0    -0.03881    3.58516   -0.48910       0.01391   -0.01391    0.00103
  1.0     1.54794    1.14146   -0.69312       0.12963   -0.05406    0.03797
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   17.5000      0.01395    -76.41486      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10385    1.90826   -1.05413      -0.00958    0.00436   -0.00267
  1.0    -0.03738    3.58385   -0.48895       0.01477   -0.01230    0.00202
  1.0     1.56129    1.13591   -0.68921       0.13724   -0.05695    0.04030
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   17.6000      0.01524    -76.41616      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10287    1.90870   -1.05441      -0.01004    0.00440   -0.00286
  1.0    -0.03586    3.58270   -0.48870       0.01562   -0.01057    0.00305
  1.0     1.57535    1.13009   -0.68507       0.14371   -0.05925    0.04235
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   17.7000      0.01636    -76.41727      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10185    1.90914   -1.05470      -0.01043    0.00439   -0.00304
  1.0    -0.03426    3.58174   -0.48834       0.01647   -0.00874    0.00411
  1.0     1.59000    1.12408   -0.68075       0.14909   -0.06095    0.04413
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   17.8000      0.01727    -76.41819      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10079    1.90958   -1.05501      -0.01076    0.00434   -0.00320
  1.0    -0.03257    3.58096   -0.48787       0.01732   -0.00682    0.00522
  1.0     1.60513    1.11792   -0.67626       0.15339   -0.06209    0.04563
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   17.9000      0.01798    -76.41889      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09970    1.91001   -1.05534      -0.01102    0.00425   -0.00335
  1.0    -0.03079    3.58037   -0.48730       0.01817   -0.00483    0.00635
  1.0     1.62064    1.11168   -0.67163       0.15665   -0.06269    0.04687
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   18.0000      0.01847    -76.41939      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09858    1.91043   -1.05568      -0.01121    0.00413   -0.00349
  1.0    -0.02893    3.57999   -0.48660       0.01903   -0.00277    0.00750
  1.0     1.63643    1.10540   -0.66689       0.15892   -0.06278    0.04786
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   18.1000      0.01876    -76.41968      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09746    1.91083   -1.05604      -0.01135    0.00397   -0.00361
  1.0    -0.02699    3.57982   -0.48580       0.01989   -0.00066    0.00868
  1.0     1.65239    1.09914   -0.66206       0.16026   -0.06237    0.04861
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   18.2000      0.01885    -76.41977      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09632    1.91122   -1.05641      -0.01143    0.00378   -0.00372
  1.0    -0.02496    3.57986   -0.48487       0.02076    0.00149    0.00988
  1.0     1.66845    1.09294   -0.65717       0.16072   -0.06152    0.04914
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   18.3000      0.01876    -76.41968      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09517    1.91159   -1.05678      -0.01147    0.00357   -0.00381
  1.0    -0.02284    3.58012   -0.48382       0.02163    0.00366    0.01108
  1.0     1.68451    1.08685   -0.65224       0.16035   -0.06024    0.04945
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   18.4000      0.01850    -76.41942      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09402    1.91193   -1.05717      -0.01145    0.00332   -0.00390
  1.0    -0.02063    3.58059   -0.48265       0.02251    0.00583    0.01230
  1.0     1.70049    1.08091   -0.64729       0.15922   -0.05857    0.04957
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   18.5000      0.01810    -76.41901      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09288    1.91225   -1.05756      -0.01139    0.00306   -0.00397
  1.0    -0.01833    3.58129   -0.48136       0.02340    0.00800    0.01351
  1.0     1.71633    1.07515   -0.64234       0.15738   -0.05655    0.04950
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   18.6000      0.01756    -76.41847      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09175    1.91255   -1.05796      -0.01129    0.00278   -0.00403
  1.0    -0.01595    3.58219   -0.47995       0.02430    0.01014    0.01472
  1.0     1.73195    1.06961   -0.63740       0.15489   -0.05421    0.04926
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   18.7000      0.01691    -76.41783      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09062    1.91281   -1.05837      -0.01115    0.00248   -0.00408
  1.0    -0.01347    3.58331   -0.47842       0.02520    0.01225    0.01591
  1.0     1.74729    1.06431   -0.63249       0.15181   -0.05158    0.04887
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   18.8000      0.01618    -76.41709      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08952    1.91304   -1.05878      -0.01098    0.00217   -0.00412
  1.0    -0.01091    3.58464   -0.47677       0.02611    0.01429    0.01709
  1.0     1.76229    1.05930   -0.62763       0.14819   -0.04869    0.04833
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   18.9000      0.01537    -76.41629      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08843    1.91324   -1.05919      -0.01078    0.00185   -0.00415
  1.0    -0.00825    3.58617   -0.47500       0.02703    0.01627    0.01824
  1.0     1.77691    1.05458   -0.62283       0.14408   -0.04556    0.04765
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   19.0000      0.01452    -76.41543      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08736    1.91341   -1.05961      -0.01055    0.00152   -0.00417
  1.0    -0.00550    3.58789   -0.47312       0.02796    0.01816    0.01937
  1.0     1.79109    1.05019   -0.61810       0.13951   -0.04223    0.04685
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   19.1000      0.01362    -76.41453      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08632    1.91355   -1.06003      -0.01030    0.00118   -0.00418
  1.0    -0.00266    3.58980   -0.47113       0.02889    0.01996    0.02046
  1.0     1.80480    1.04614   -0.61346       0.13454   -0.03871    0.04594
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   19.2000      0.01271    -76.41362      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08530    1.91365   -1.06044      -0.01002    0.00084   -0.00419
  1.0     0.00028    3.59188   -0.46903       0.02982    0.02164    0.02151
  1.0     1.81799    1.04246   -0.60892       0.12921   -0.03503    0.04492
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   19.3000      0.01179    -76.41270      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08432    1.91371   -1.06086      -0.00972    0.00050   -0.00418
  1.0     0.00331    3.59412   -0.46683       0.03076    0.02321    0.02252
  1.0     1.83063    1.03914   -0.60448       0.12354   -0.03121    0.04381
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   19.4000      0.01087    -76.41178      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08336    1.91375   -1.06128      -0.00941    0.00017   -0.00416
  1.0     0.00643    3.59652   -0.46453       0.03170    0.02463    0.02348
  1.0     1.84269    1.03622   -0.60016       0.11758   -0.02726    0.04261
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   19.5000      0.00997    -76.41089      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08244    1.91375   -1.06170      -0.00907   -0.00017   -0.00414
  1.0     0.00964    3.59905   -0.46213       0.03264    0.02592    0.02438
  1.0     1.85414    1.03369   -0.59596       0.11135   -0.02321    0.04134
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   19.6000      0.00910    -76.41002      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08155    1.91371   -1.06211      -0.00872   -0.00050   -0.00411
  1.0     0.01296    3.60169   -0.45965       0.03357    0.02705    0.02523
  1.0     1.86495    1.03158   -0.59189       0.10489   -0.01908    0.03998
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   19.7000      0.00827    -76.40918      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08069    1.91365   -1.06252      -0.00836   -0.00083   -0.00407
  1.0     0.01636    3.60445   -0.45709       0.03451    0.02802    0.02601
  1.0     1.87511    1.02988   -0.58796       0.09822   -0.01486    0.03857
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   19.8000      0.00748    -76.40840      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07987    1.91355   -1.06292      -0.00799   -0.00115   -0.00402
  1.0     0.01986    3.60729   -0.45445       0.03543    0.02883    0.02673
  1.0     1.88459    1.02861   -0.58418       0.09136   -0.01059    0.03709
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   19.9000      0.00675    -76.40766      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07909    1.91342   -1.06332      -0.00760   -0.00146   -0.00397
  1.0     0.02345    3.61021   -0.45174       0.03635    0.02947    0.02738
  1.0     1.89337    1.02776   -0.58055       0.08433   -0.00628    0.03555
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   20.0000      0.00607    -76.40698      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07835    1.91326   -1.06371      -0.00721   -0.00176   -0.00390
  1.0     0.02713    3.61318   -0.44898       0.03726    0.02993    0.02796
  1.0     1.90145    1.02735   -0.57707       0.07717   -0.00192    0.03396
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   20.1000      0.00545    -76.40637      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07765    1.91306   -1.06410      -0.00681   -0.00206   -0.00383
  1.0     0.03090    3.61619   -0.44615       0.03816    0.03021    0.02847
  1.0     1.90880    1.02738   -0.57376       0.06987    0.00246    0.03233
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   20.2000      0.00491    -76.40582      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07699    1.91284   -1.06448      -0.00640   -0.00234   -0.00375
  1.0     0.03476    3.61922   -0.44328       0.03905    0.03031    0.02891
  1.0     1.91542    1.02785   -0.57061       0.06247    0.00685    0.03066
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   20.3000      0.00443    -76.40534      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07637    1.91260   -1.06485      -0.00598   -0.00261   -0.00367
  1.0     0.03871    3.62225   -0.44038       0.03991    0.03024    0.02927
  1.0     1.92130    1.02875   -0.56763       0.05498    0.01125    0.02894
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   20.4000      0.00403    -76.40494      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07580    1.91232   -1.06521      -0.00556   -0.00288   -0.00358
  1.0     0.04274    3.62526   -0.43743       0.04076    0.02998    0.02955
  1.0     1.92642    1.03010   -0.56482       0.04741    0.01565    0.02719
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   20.5000      0.00370    -76.40461      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07526    1.91202   -1.06557      -0.00513   -0.00312   -0.00348
  1.0     0.04686    3.62824   -0.43447       0.04159    0.02955    0.02976
  1.0     1.93078    1.03188   -0.56219       0.03978    0.02004    0.02541
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   20.6000      0.00345    -76.40436      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07477    1.91170   -1.06591      -0.00469   -0.00336   -0.00337
  1.0     0.05106    3.63116   -0.43148       0.04239    0.02894    0.02990
  1.0     1.93437    1.03410   -0.55974       0.03209    0.02441    0.02359
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   20.7000      0.00328    -76.40419      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07432    1.91135   -1.06624      -0.00426   -0.00359   -0.00326
  1.0     0.05534    3.63402   -0.42849       0.04317    0.02816    0.02995
  1.0     1.93719    1.03676   -0.55747       0.02437    0.02875    0.02175
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   20.8000      0.00320    -76.40411      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07392    1.91098   -1.06656      -0.00381   -0.00380   -0.00314
  1.0     0.05969    3.63679   -0.42550       0.04392    0.02721    0.02993
  1.0     1.93924    1.03985   -0.55539       0.01662    0.03307    0.01989
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   20.9000      0.00319    -76.40410      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07356    1.91059   -1.06687      -0.00337   -0.00400   -0.00301
  1.0     0.06412    3.63946   -0.42251       0.04463    0.02610    0.02984
  1.0     1.94052    1.04337   -0.55350       0.00886    0.03734    0.01801
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   21.0000      0.00327    -76.40418      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07325    1.91018   -1.06716      -0.00292   -0.00418   -0.00288
  1.0     0.06862    3.64201   -0.41953       0.04532    0.02484    0.02967
  1.0     1.94101    1.04732   -0.55179       0.00110    0.04157    0.01611
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   21.1000      0.00343    -76.40434      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07298    1.90975   -1.06744      -0.00248   -0.00436   -0.00275
  1.0     0.07318    3.64442   -0.41657       0.04597    0.02342    0.02943
  1.0     1.94074    1.05168   -0.55028      -0.00665    0.04574    0.01419
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   21.2000      0.00367    -76.40459      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07275    1.90931   -1.06771      -0.00203   -0.00452   -0.00261
  1.0     0.07781    3.64668   -0.41365       0.04659    0.02186    0.02912
  1.0     1.93968    1.05646   -0.54895      -0.01438    0.04985    0.01226
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   21.3000      0.00400    -76.40491      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07257    1.90885   -1.06797      -0.00158   -0.00467   -0.00246
  1.0     0.08250    3.64879   -0.41075       0.04716    0.02016    0.02875
  1.0     1.93786    1.06165   -0.54782      -0.02207    0.05390    0.01032
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   21.4000      0.00440    -76.40531      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07243    1.90838   -1.06820      -0.00113   -0.00480   -0.00231
  1.0     0.08724    3.65071   -0.40790       0.04770    0.01834    0.02830
  1.0     1.93527    1.06724   -0.54689      -0.02972    0.05787    0.00838
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   21.5000      0.00488    -76.40579      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07234    1.90789   -1.06843      -0.00069   -0.00492   -0.00216
  1.0     0.09204    3.65245   -0.40509       0.04819    0.01639    0.02779
  1.0     1.93192    1.07323   -0.54615      -0.03730    0.06177    0.00643
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   21.6000      0.00543    -76.40634      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07230    1.90739   -1.06864      -0.00024   -0.00504   -0.00200
  1.0     0.09688    3.65399   -0.40234       0.04864    0.01434    0.02723
  1.0     1.92781    1.07959   -0.54560      -0.04481    0.06557    0.00449
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   21.7000      0.00606    -76.40697      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07229    1.90688   -1.06883       0.00020   -0.00513   -0.00184
  1.0     0.10176    3.65531   -0.39965       0.04904    0.01218    0.02660
  1.0     1.92296    1.08634   -0.54525      -0.05222    0.06928    0.00255
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   21.8000      0.00674    -76.40766      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07234    1.90637   -1.06900       0.00064   -0.00522   -0.00167
  1.0     0.10668    3.65642   -0.39702       0.04939    0.00993    0.02591
  1.0     1.91737    1.09345   -0.54509      -0.05953    0.07288    0.00062
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   21.9000      0.00750    -76.40841      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07242    1.90584   -1.06916       0.00107   -0.00529   -0.00150
  1.0     0.11164    3.65730   -0.39447       0.04970    0.00760    0.02517
  1.0     1.91106    1.10091   -0.54512      -0.06671    0.07637   -0.00130
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   22.0000      0.00830    -76.40921      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07255    1.90531   -1.06930       0.00150   -0.00535   -0.00133
  1.0     0.11662    3.65794   -0.39199       0.04995    0.00520    0.02438
  1.0     1.90403    1.10872   -0.54535      -0.07375    0.07974   -0.00320
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   22.1000      0.00915    -76.41007      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07272    1.90477   -1.06943       0.00192   -0.00540   -0.00116
  1.0     0.12163    3.65834   -0.38959       0.05015    0.00273    0.02355
  1.0     1.89631    1.11685   -0.54576      -0.08063    0.08297   -0.00508
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   22.2000      0.01005    -76.41096      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07294    1.90423   -1.06954       0.00233   -0.00544   -0.00099
  1.0     0.12665    3.65848   -0.38728       0.05029    0.00021    0.02267
  1.0     1.88791    1.12531   -0.54636      -0.08732    0.08606   -0.00692
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   22.3000      0.01097    -76.41188      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07319    1.90368   -1.06963       0.00274   -0.00546   -0.00082
  1.0     0.13168    3.65838   -0.38506       0.05038   -0.00235    0.02175
  1.0     1.87886    1.13406   -0.54715      -0.09380    0.08900   -0.00873
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   22.4000      0.01192    -76.41283      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07348    1.90314   -1.06970       0.00313   -0.00547   -0.00065
  1.0     0.13672    3.65801   -0.38293       0.05041   -0.00494    0.02079
  1.0     1.86916    1.14310   -0.54811      -0.10004    0.09177   -0.01050
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   22.5000      0.01287    -76.41379      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07381    1.90259   -1.06976       0.00351   -0.00547   -0.00048
  1.0     0.14176    3.65739   -0.38090       0.05038   -0.00755    0.01979
  1.0     1.85886    1.15241   -0.54924      -0.10602    0.09436   -0.01221
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   22.6000      0.01383    -76.41474      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07418    1.90204   -1.06980       0.00387   -0.00546   -0.00031
  1.0     0.14680    3.65650   -0.37898       0.05029   -0.01017    0.01877
  1.0     1.84797    1.16197   -0.55055      -0.11170    0.09675   -0.01386
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   22.7000      0.01476    -76.41568      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07459    1.90150   -1.06982       0.00422   -0.00543   -0.00014
  1.0     0.15182    3.65535   -0.37715       0.05014   -0.01280    0.01772
  1.0     1.83653    1.17175   -0.55201      -0.11705    0.09894   -0.01545
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   22.8000      0.01567    -76.41658      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07503    1.90096   -1.06983       0.00454   -0.00539    0.00002
  1.0     0.15682    3.65394   -0.37543       0.04992   -0.01540    0.01664
  1.0     1.82457    1.18175   -0.55364      -0.12203    0.10090   -0.01695
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   22.9000      0.01653    -76.41744      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07550    1.90042   -1.06982       0.00485   -0.00533    0.00018
  1.0     0.16180    3.65227   -0.37382       0.04964   -0.01799    0.01555
  1.0     1.81214    1.19192   -0.55540      -0.12662    0.10262   -0.01837
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   23.0000      0.01733    -76.41824      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07599    1.89989   -1.06979       0.00513   -0.00526    0.00033
  1.0     0.16675    3.65035   -0.37232       0.04930   -0.02054    0.01444
  1.0     1.79926    1.20226   -0.55731      -0.13075    0.10408   -0.01968
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   23.1000      0.01804    -76.41896      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07652    1.89937   -1.06975       0.00539   -0.00518    0.00048
  1.0     0.17166    3.64817   -0.37094       0.04889   -0.02304    0.01331
  1.0     1.78600    1.21273   -0.55933      -0.13440    0.10527   -0.02087
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   23.2000      0.01866    -76.41957      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07707    1.89886   -1.06969       0.00561   -0.00508    0.00061
  1.0     0.17652    3.64574   -0.36966       0.04841   -0.02549    0.01218
  1.0     1.77240    1.22331   -0.56147      -0.13752    0.10617   -0.02193
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   23.3000      0.01917    -76.42008      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07764    1.89835   -1.06963       0.00581   -0.00497    0.00074
  1.0     0.18134    3.64307   -0.36850       0.04787   -0.02787    0.01105
  1.0     1.75852    1.23395   -0.56372      -0.14005    0.10675   -0.02285
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   23.4000      0.01954    -76.42045      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07823    1.89786   -1.06955       0.00597   -0.00484    0.00086
  1.0     0.18610    3.64017   -0.36745       0.04726   -0.03016    0.00991
  1.0     1.74441    1.24464   -0.56604      -0.14196    0.10701   -0.02361
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   23.5000      0.01976    -76.42067      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07883    1.89739   -1.06945       0.00609   -0.00470    0.00097
  1.0     0.19079    3.63704   -0.36652       0.04657   -0.03237    0.00878
  1.0     1.73015    1.25534   -0.56843      -0.14317    0.10691   -0.02419
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   23.6000      0.01981    -76.42072      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07945    1.89693   -1.06935       0.00616   -0.00454    0.00107
  1.0     0.19541    3.63370   -0.36570       0.04582   -0.03447    0.00765
  1.0     1.71580    1.26602   -0.57087      -0.14364    0.10645   -0.02458
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   23.7000      0.01969    -76.42060      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08007    1.89648   -1.06924       0.00620   -0.00436    0.00115
  1.0     0.19995    3.63015   -0.36499       0.04500   -0.03645    0.00654
  1.0     1.70145    1.27662   -0.57334      -0.14333    0.10559   -0.02476
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   23.8000      0.01938    -76.42029      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08068    1.89605   -1.06912       0.00618   -0.00416    0.00121
  1.0     0.20441    3.62641   -0.36439       0.04411   -0.03831    0.00544
  1.0     1.68716    1.28712   -0.57582      -0.14216    0.10434   -0.02471
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   23.9000      0.01887    -76.41979      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08130    1.89565   -1.06900       0.00611   -0.00395    0.00126
  1.0     0.20877    3.62249   -0.36390       0.04315   -0.04004    0.00436
  1.0     1.67304    1.29747   -0.57827      -0.14011    0.10266   -0.02441
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   24.0000      0.01817    -76.41909      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08190    1.89527   -1.06887       0.00599   -0.00371    0.00129
  1.0     0.21303    3.61841   -0.36352       0.04213   -0.04161    0.00331
  1.0     1.65917    1.30764   -0.58069      -0.13712    0.10055   -0.02386
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   24.1000      0.01728    -76.41820      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08249    1.89491   -1.06874       0.00580   -0.00346    0.00131
  1.0     0.21719    3.61418   -0.36324       0.04103   -0.04303    0.00228
  1.0     1.64565    1.31757   -0.58304      -0.13316    0.09800   -0.02304
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   24.2000      0.01622    -76.41713      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08306    1.89457   -1.06861       0.00556   -0.00320    0.00130
  1.0     0.22124    3.60981   -0.36306       0.03987   -0.04428    0.00129
  1.0     1.63257    1.32722   -0.58529      -0.12819    0.09500   -0.02193
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   24.3000      0.01499    -76.41590      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08361    1.89427   -1.06848       0.00526   -0.00291    0.00127
  1.0     0.22516    3.60533   -0.36298       0.03864   -0.04535    0.00034
  1.0     1.62005    1.33656   -0.58741      -0.12219    0.09155   -0.02053
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   24.4000      0.01362    -76.41453      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08411    1.89399   -1.06836       0.00490   -0.00261    0.00122
  1.0     0.22897    3.60074   -0.36299       0.03735   -0.04624   -0.00057
  1.0     1.60817    1.34552   -0.58938      -0.11515    0.08765   -0.01883
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   24.5000      0.01215    -76.41307      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08458    1.89375   -1.06824       0.00448   -0.00229    0.00115
  1.0     0.23263    3.59608   -0.36309       0.03600   -0.04693   -0.00144
  1.0     1.59705    1.35407   -0.59117      -0.10708    0.08330   -0.01683
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   24.6000      0.01062    -76.41154      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08501    1.89353   -1.06813       0.00399   -0.00196    0.00106
  1.0     0.23616    3.59137   -0.36327       0.03459   -0.04742   -0.00225
  1.0     1.58679    1.36217   -0.59274      -0.09799    0.07853   -0.01454
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   24.7000      0.00907    -76.40999      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08538    1.89336   -1.06803       0.00345   -0.00162    0.00094
  1.0     0.23955    3.58661   -0.36354       0.03312   -0.04770   -0.00302
  1.0     1.57749    1.36976   -0.59407      -0.08793    0.07336   -0.01196
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   24.8000      0.00756    -76.40847      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08570    1.89321   -1.06794       0.00286   -0.00126    0.00081
  1.0     0.24279    3.58183   -0.36388       0.03160   -0.04776   -0.00373
  1.0     1.56923    1.37682   -0.59512      -0.07696    0.06780   -0.00912
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   24.9000      0.00613    -76.40704      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08595    1.89310   -1.06787       0.00221   -0.00090    0.00066
  1.0     0.24587    3.57706   -0.36428       0.03003   -0.04761   -0.00437
  1.0     1.56212    1.38331   -0.59588      -0.06516    0.06191   -0.00603
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   25.0000      0.00483    -76.40574      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08614    1.89303   -1.06781       0.00152   -0.00053    0.00048
  1.0     0.24879    3.57232   -0.36475       0.02842   -0.04723   -0.00496
  1.0     1.55623    1.38919   -0.59632      -0.05262    0.05571   -0.00272
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   25.1000      0.00372    -76.40463      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08625    1.89300   -1.06777       0.00080   -0.00017    0.00030
  1.0     0.25155    3.56763   -0.36527       0.02676   -0.04663   -0.00547
  1.0     1.55162    1.39444   -0.59642      -0.03946    0.04925    0.00077
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   25.2000      0.00283    -76.40374      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08630    1.89300   -1.06775       0.00005    0.00020    0.00010
  1.0     0.25414    3.56300   -0.36584       0.02507   -0.04580   -0.00592
  1.0     1.54835    1.39904   -0.59616      -0.02581    0.04260    0.00441
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   25.3000      0.00220    -76.40311      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08626    1.89304   -1.06775      -0.00073    0.00056   -0.00012
  1.0     0.25656    3.55847   -0.36645       0.02334   -0.04474   -0.00630
  1.0     1.54647    1.40296   -0.59553      -0.01182    0.03579    0.00814
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   25.4000      0.00184    -76.40276      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08615    1.89311   -1.06777      -0.00151    0.00092   -0.00033
  1.0     0.25881    3.55406   -0.36710       0.02158   -0.04346   -0.00661
  1.0     1.54599    1.40619   -0.59453       0.00235    0.02890    0.01192
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   25.5000      0.00178    -76.40269      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08596    1.89322   -1.06782      -0.00229    0.00126   -0.00056
  1.0     0.26088    3.54979   -0.36777       0.01980   -0.04195   -0.00685
  1.0     1.54694    1.40874   -0.59315       0.01655    0.02198    0.01571
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   25.6000      0.00201    -76.40292      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08569    1.89336   -1.06789      -0.00306    0.00158   -0.00078
  1.0     0.26277    3.54568   -0.36847       0.01801   -0.04022   -0.00701
  1.0     1.54930    1.41059   -0.59139       0.03061    0.01508    0.01944
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   25.7000      0.00250    -76.40341      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08535    1.89354   -1.06797      -0.00382    0.00189   -0.00101
  1.0     0.26448    3.54175   -0.36917       0.01620   -0.03829   -0.00709
  1.0     1.55305    1.41176   -0.58926       0.04438    0.00828    0.02307
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   25.8000      0.00324    -76.40415      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08493    1.89374   -1.06809      -0.00454    0.00218   -0.00123
  1.0     0.26601    3.53803   -0.36988       0.01438   -0.03615   -0.00711
  1.0     1.55816    1.41225   -0.58678       0.05771    0.00162    0.02656
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   25.9000      0.00419    -76.40510      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08444    1.89397   -1.06822      -0.00523    0.00244   -0.00144
  1.0     0.26736    3.53453   -0.37059       0.01256   -0.03381   -0.00705
  1.0     1.56457    1.41209   -0.58396       0.07045   -0.00485    0.02986
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   26.0000      0.00530    -76.40621      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08389    1.89423   -1.06837      -0.00588    0.00267   -0.00164
  1.0     0.26852    3.53127   -0.37129       0.01074   -0.03129   -0.00692
  1.0     1.57223    1.41129   -0.58082       0.08250   -0.01108    0.03294
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   26.1000      0.00653    -76.40744      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08327    1.89450   -1.06855      -0.00647    0.00288   -0.00183
  1.0     0.26950    3.52828   -0.37197       0.00894   -0.02861   -0.00672
  1.0     1.58105    1.40988   -0.57738       0.09375   -0.01704    0.03576
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   26.2000      0.00783    -76.40874      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08259    1.89480   -1.06874      -0.00701    0.00305   -0.00201
  1.0     0.27031    3.52556   -0.37263       0.00714   -0.02576   -0.00646
  1.0     1.59095    1.40789   -0.57368       0.10411   -0.02269    0.03829
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   26.3000      0.00915    -76.41006      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08187    1.89511   -1.06895      -0.00749    0.00320   -0.00217
  1.0     0.27093    3.52313   -0.37326       0.00536   -0.02277   -0.00614
  1.0     1.60184    1.40535   -0.56973       0.11352   -0.02801    0.04052
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   26.4000      0.01045    -76.41136      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08110    1.89544   -1.06917      -0.00791    0.00332   -0.00231
  1.0     0.27138    3.52101   -0.37386       0.00361   -0.01965   -0.00576
  1.0     1.61362    1.40230   -0.56558       0.12194   -0.03298    0.04244
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   26.5000      0.01169    -76.41260      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08029    1.89577   -1.06941      -0.00827    0.00340   -0.00244
  1.0     0.27166    3.51920   -0.37441       0.00187   -0.01642   -0.00533
  1.0     1.62619    1.39877   -0.56126       0.12933   -0.03759    0.04403
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   26.6000      0.01283    -76.41374      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07945    1.89612   -1.06966      -0.00856    0.00346   -0.00255
  1.0     0.27176    3.51773   -0.37492       0.00017   -0.01310   -0.00484
  1.0     1.63945    1.39479   -0.55679       0.13569   -0.04183    0.04530
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   26.7000      0.01385    -76.41476      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07858    1.89647   -1.06992      -0.00879    0.00349   -0.00264
  1.0     0.27169    3.51659   -0.37538      -0.00150   -0.00970   -0.00432
  1.0     1.65330    1.39041   -0.55221       0.14103   -0.04569    0.04625
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   26.8000      0.01472    -76.41564      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07769    1.89682   -1.07019      -0.00896    0.00349   -0.00272
  1.0     0.27146    3.51579   -0.37578      -0.00314   -0.00625   -0.00377
  1.0     1.66762    1.38567   -0.54755       0.14535   -0.04918    0.04688
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   26.9000      0.01544    -76.41636      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07679    1.89716   -1.07046      -0.00907    0.00347   -0.00277
  1.0     0.27106    3.51534   -0.37613      -0.00475   -0.00277   -0.00318
  1.0     1.68233    1.38059   -0.54284       0.14869   -0.05230    0.04721
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   27.0000      0.01600    -76.41691      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07588    1.89751   -1.07074      -0.00912    0.00342   -0.00282
  1.0     0.27051    3.51524   -0.37642      -0.00632    0.00073   -0.00257
  1.0     1.69733    1.37522   -0.53811       0.15109   -0.05507    0.04725
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   27.1000      0.01640    -76.41731      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07497    1.89785   -1.07102      -0.00912    0.00336   -0.00284
  1.0     0.26980    3.51548   -0.37665      -0.00785    0.00423   -0.00195
  1.0     1.71252    1.36959   -0.53340       0.15258   -0.05749    0.04701
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   27.2000      0.01663    -76.41754      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07406    1.89818   -1.07131      -0.00907    0.00327   -0.00285
  1.0     0.26894    3.51608   -0.37681      -0.00934    0.00770   -0.00131
  1.0     1.72782    1.36373   -0.52872       0.15321   -0.05957    0.04652
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   27.3000      0.01670    -76.41762      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07316    1.89850   -1.07159      -0.00896    0.00316   -0.00284
  1.0     0.26793    3.51702   -0.37691      -0.01079    0.01113   -0.00068
  1.0     1.74313    1.35769   -0.52410       0.15303   -0.06132    0.04578
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   27.4000      0.01663    -76.41754      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07227    1.89881   -1.07188      -0.00881    0.00304   -0.00282
  1.0     0.26678    3.51831   -0.37695      -0.01220    0.01449   -0.00005
  1.0     1.75840    1.35148   -0.51957       0.15209   -0.06277    0.04481
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   27.5000      0.01643    -76.41734      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07139    1.89911   -1.07216      -0.00862    0.00291   -0.00279
  1.0     0.26550    3.51992   -0.37692      -0.01358    0.01778    0.00056
  1.0     1.77353    1.34514   -0.51515       0.15045   -0.06393    0.04364
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   27.6000      0.01610    -76.41701      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07054    1.89939   -1.07243      -0.00840    0.00276   -0.00274
  1.0     0.26407    3.52186   -0.37683      -0.01491    0.02096    0.00116
  1.0     1.78847    1.33870   -0.51085       0.14815   -0.06481    0.04228
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   27.7000      0.01567    -76.41658      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06972    1.89966   -1.07270      -0.00813    0.00261   -0.00268
  1.0     0.26251    3.52411   -0.37669      -0.01621    0.02403    0.00172
  1.0     1.80314    1.33219   -0.50670       0.14525   -0.06542    0.04075
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   27.8000      0.01514    -76.41605      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06892    1.89991   -1.07297      -0.00783    0.00245   -0.00260
  1.0     0.26083    3.52666   -0.37649      -0.01747    0.02697    0.00226
  1.0     1.81750    1.32563   -0.50271       0.14179   -0.06579    0.03905
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   27.9000      0.01454    -76.41545      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06815    1.90015   -1.07322      -0.00751    0.00228   -0.00252
  1.0     0.25902    3.52950   -0.37624      -0.01869    0.02976    0.00276
  1.0     1.83148    1.31904   -0.49889       0.13782   -0.06592    0.03722
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   28.0000      0.01387    -76.41478      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06742    1.90037   -1.07347      -0.00715    0.00211   -0.00242
  1.0     0.25709    3.53260   -0.37594      -0.01988    0.03239    0.00321
  1.0     1.84505    1.31245   -0.49527       0.13339   -0.06584    0.03526
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   28.1000      0.01315    -76.41406      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06672    1.90057   -1.07371      -0.00677    0.00193   -0.00232
  1.0     0.25505    3.53597   -0.37560      -0.02103    0.03485    0.00362
  1.0     1.85815    1.30588   -0.49184       0.12853   -0.06554    0.03319
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   28.2000      0.01239    -76.41330      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06606    1.90076   -1.07393      -0.00637    0.00176   -0.00220
  1.0     0.25289    3.53957   -0.37522      -0.02215    0.03713    0.00397
  1.0     1.87074    1.29935   -0.48863       0.12328   -0.06506    0.03101
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   28.3000      0.01160    -76.41252      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06545    1.90092   -1.07415      -0.00595    0.00159   -0.00208
  1.0     0.25062    3.54339   -0.37481      -0.02324    0.03923    0.00426
  1.0     1.88279    1.29287   -0.48564       0.11769   -0.06439    0.02875
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   28.4000      0.01081    -76.41172      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06487    1.90107   -1.07435      -0.00551    0.00141   -0.00195
  1.0     0.24824    3.54741   -0.37437      -0.02430    0.04112    0.00450
  1.0     1.89427    1.28647   -0.48288       0.11178   -0.06355    0.02641
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   28.5000      0.01000    -76.41092      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06434    1.90121   -1.07454      -0.00506    0.00124   -0.00181
  1.0     0.24576    3.55161   -0.37391      -0.02533    0.04281    0.00467
  1.0     1.90514    1.28017   -0.48036       0.10558   -0.06256    0.02399
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   28.6000      0.00921    -76.41012      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06386    1.90132   -1.07471      -0.00459    0.00108   -0.00166
  1.0     0.24318    3.55596   -0.37344      -0.02633    0.04429    0.00478
  1.0     1.91537    1.27397   -0.47809       0.09912   -0.06141    0.02152
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   28.7000      0.00843    -76.40934      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06343    1.90142   -1.07487      -0.00410    0.00092   -0.00150
  1.0     0.24049    3.56046   -0.37296      -0.02730    0.04555    0.00482
  1.0     1.92495    1.26789   -0.47606       0.09244   -0.06013    0.01900
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   28.8000      0.00767    -76.40858      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06304    1.90151   -1.07501      -0.00361    0.00076   -0.00134
  1.0     0.23772    3.56507   -0.37248      -0.02824    0.04660    0.00479
  1.0     1.93385    1.26195   -0.47429       0.08555   -0.05872    0.01644
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   28.9000      0.00695    -76.40786      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06271    1.90157   -1.07514      -0.00311    0.00061   -0.00117
  1.0     0.23485    3.56977   -0.37200      -0.02915    0.04744    0.00469
  1.0     1.94206    1.25615   -0.47277       0.07848   -0.05718    0.01383
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   29.0000      0.00626    -76.40717      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06242    1.90163   -1.07524      -0.00260    0.00047   -0.00099
  1.0     0.23189    3.57455   -0.37154      -0.03004    0.04805    0.00452
  1.0     1.94955    1.25051   -0.47152       0.07125   -0.05554    0.01120
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   29.1000      0.00562    -76.40653      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06219    1.90167   -1.07533      -0.00208    0.00034   -0.00081
  1.0     0.22884    3.57937   -0.37110      -0.03090    0.04845    0.00428
  1.0     1.95630    1.24505   -0.47053       0.06388   -0.05379    0.00855
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   29.2000      0.00502    -76.40594      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06201    1.90170   -1.07541      -0.00155    0.00021   -0.00062
  1.0     0.22571    3.58423   -0.37069      -0.03173    0.04864    0.00398
  1.0     1.96232    1.23976   -0.46981       0.05639   -0.05194    0.00588
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   29.3000      0.00449    -76.40540      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06188    1.90171   -1.07546      -0.00102    0.00009   -0.00043
  1.0     0.22250    3.58909   -0.37031      -0.03254    0.04862    0.00361
  1.0     1.96758    1.23466   -0.46936       0.04879   -0.05000    0.00319
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   29.4000      0.00401    -76.40492      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06180    1.90171   -1.07549      -0.00049   -0.00003   -0.00023
  1.0     0.21920    3.59394   -0.36997      -0.03332    0.04838    0.00317
  1.0     1.97207    1.22976   -0.46918       0.04110   -0.04797    0.00049
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   29.5000      0.00359    -76.40451      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06178    1.90171   -1.07550       0.00005   -0.00013   -0.00003
  1.0     0.21583    3.59876   -0.36967      -0.03407    0.04795    0.00267
  1.0     1.97580    1.22507   -0.46926       0.03333   -0.04587   -0.00221
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   29.6000      0.00325    -76.40416      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06181    1.90169   -1.07550       0.00059   -0.00023    0.00018
  1.0     0.21239    3.60353   -0.36943      -0.03480    0.04732    0.00211
  1.0     1.97874    1.22059   -0.46962       0.02551   -0.04369   -0.00491
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   29.7000      0.00297    -76.40389      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06190    1.90166   -1.07547       0.00113   -0.00032    0.00039
  1.0     0.20887    3.60822   -0.36925      -0.03550    0.04650    0.00148
  1.0     1.98090    1.21634   -0.47024       0.01763   -0.04144   -0.00760
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   29.8000      0.00278    -76.40369      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06204    1.90162   -1.07542       0.00167   -0.00040    0.00060
  1.0     0.20529    3.61282   -0.36914      -0.03618    0.04550    0.00080
  1.0     1.98226    1.21231   -0.47114       0.00972   -0.03913   -0.01029
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   29.9000      0.00265    -76.40356      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06223    1.90158   -1.07535       0.00221   -0.00048    0.00081
  1.0     0.20164    3.61731   -0.36910      -0.03683    0.04431    0.00007
  1.0     1.98284    1.20851   -0.47230       0.00179   -0.03677   -0.01297
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   30.0000      0.00261    -76.40352      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06248    1.90153   -1.07526       0.00275   -0.00054    0.00103
  1.0     0.19792    3.62168   -0.36913      -0.03745    0.04296   -0.00072
  1.0     1.98262    1.20495   -0.47373      -0.00616   -0.03435   -0.01563
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   30.1000      0.00264    -76.40356      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06278    1.90147   -1.07514       0.00329   -0.00060    0.00125
  1.0     0.19415    3.62590   -0.36924      -0.03804    0.04145   -0.00155
  1.0     1.98161    1.20164   -0.47543      -0.01410   -0.03189   -0.01828
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   30.2000      0.00276    -76.40367      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06313    1.90141   -1.07501       0.00382   -0.00066    0.00147
  1.0     0.19032    3.62996   -0.36944      -0.03860    0.03979   -0.00243
  1.0     1.97980    1.19858   -0.47739      -0.02203   -0.02938   -0.02090
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   30.3000      0.00296    -76.40387      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06354    1.90134   -1.07485       0.00435   -0.00070    0.00169
  1.0     0.18643    3.63385   -0.36973      -0.03914    0.03798   -0.00335
  1.0     1.97720    1.19577   -0.47961      -0.02994   -0.02684   -0.02350
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   30.4000      0.00324    -76.40415      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06400    1.90127   -1.07467       0.00488   -0.00074    0.00191
  1.0     0.18249    3.63756   -0.37011      -0.03965    0.03603   -0.00430
  1.0     1.97382    1.19321   -0.48209      -0.03781   -0.02427   -0.02607
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   30.5000      0.00360    -76.40452      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06452    1.90119   -1.07447       0.00540   -0.00077    0.00214
  1.0     0.17850    3.64106   -0.37059      -0.04012    0.03396   -0.00530
  1.0     1.96964    1.19091   -0.48482      -0.04562   -0.02168   -0.02861
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   30.6000      0.00405    -76.40496      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06508    1.90111   -1.07424       0.00592   -0.00080    0.00236
  1.0     0.17447    3.64434   -0.37117      -0.04057    0.03178   -0.00632
  1.0     1.96469    1.18888   -0.48781      -0.05338   -0.01906   -0.03112
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   30.7000      0.00457    -76.40548      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06570    1.90103   -1.07399       0.00643   -0.00082    0.00258
  1.0     0.17039    3.64741   -0.37185      -0.04099    0.02948   -0.00737
  1.0     1.95897    1.18710   -0.49104      -0.06105   -0.01643   -0.03358
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   30.8000      0.00517    -76.40608      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06637    1.90095   -1.07373       0.00693   -0.00084    0.00280
  1.0     0.16627    3.65024   -0.37264      -0.04138    0.02709   -0.00844
  1.0     1.95249    1.18559   -0.49452      -0.06864   -0.01379   -0.03600
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   30.9000      0.00584    -76.40675      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06709    1.90087   -1.07343       0.00743   -0.00085    0.00302
  1.0     0.16211    3.65282   -0.37354      -0.04175    0.02461   -0.00953
  1.0     1.94525    1.18434   -0.49824      -0.07611   -0.01116   -0.03837
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   31.0000      0.00658    -76.40749      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06786    1.90078   -1.07312       0.00791   -0.00085    0.00323
  1.0     0.15792    3.65516   -0.37455      -0.04208    0.02205   -0.01064
  1.0     1.93727    1.18336   -0.50219      -0.08346   -0.00853   -0.04068
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   31.1000      0.00738    -76.40829      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06867    1.90070   -1.07279       0.00838   -0.00085    0.00345
  1.0     0.15370    3.65723   -0.37567      -0.04238    0.01943   -0.01176
  1.0     1.92856    1.18264   -0.50638      -0.09067   -0.00591   -0.04294
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   31.2000      0.00824    -76.40915      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06953    1.90061   -1.07243       0.00884   -0.00085    0.00366
  1.0     0.14945    3.65904   -0.37690      -0.04265    0.01674   -0.01289
  1.0     1.91914    1.18217   -0.51078      -0.09771   -0.00332   -0.04514
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   31.3000      0.00915    -76.41006      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07044    1.90053   -1.07206       0.00929   -0.00083    0.00386
  1.0     0.14517    3.66058   -0.37825      -0.04289    0.01401   -0.01402
  1.0     1.90902    1.18197   -0.51540      -0.10457   -0.00077   -0.04726
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   31.4000      0.01010    -76.41101      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07139    1.90044   -1.07166       0.00972   -0.00082    0.00406
  1.0     0.14087    3.66184   -0.37971      -0.04310    0.01123   -0.01516
  1.0     1.89823    1.18202   -0.52023      -0.11122    0.00175   -0.04930
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   31.5000      0.01108    -76.41200      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07238    1.90036   -1.07124       0.01014   -0.00080    0.00426
  1.0     0.13655    3.66282   -0.38128      -0.04328    0.00843   -0.01629
  1.0     1.88679    1.18232   -0.52526      -0.11764    0.00421   -0.05127
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   31.6000      0.01209    -76.41300      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07342    1.90029   -1.07081       0.01054   -0.00077    0.00445
  1.0     0.13221    3.66353   -0.38297      -0.04343    0.00561   -0.01742
  1.0     1.87471    1.18286   -0.53048      -0.12380    0.00660   -0.05314
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   31.7000      0.01311    -76.41402      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07449    1.90021   -1.07036       0.01091   -0.00074    0.00463
  1.0     0.12786    3.66395   -0.38477      -0.04356    0.00278   -0.01854
  1.0     1.86204    1.18363   -0.53588      -0.12966    0.00891   -0.05490
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   31.8000      0.01413    -76.41504      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07560    1.90014   -1.06988       0.01127   -0.00070    0.00480
  1.0     0.12350    3.66408   -0.38667      -0.04365   -0.00006   -0.01964
  1.0     1.84879    1.18464   -0.54146      -0.13521    0.01113   -0.05656
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   31.9000      0.01513    -76.41604      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07674    1.90007   -1.06940       0.01160   -0.00065    0.00497
  1.0     0.11914    3.66393   -0.38869      -0.04372   -0.00288   -0.02073
  1.0     1.83501    1.18586   -0.54719      -0.14039    0.01323   -0.05810
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   32.0000      0.01609    -76.41701      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07792    1.90001   -1.06889       0.01190   -0.00060    0.00512
  1.0     0.11476    3.66351   -0.39082      -0.04375   -0.00568   -0.02180
  1.0     1.82073    1.18728   -0.55307      -0.14518    0.01521   -0.05952
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   32.1000      0.01701    -76.41793      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07912    1.89995   -1.06837       0.01218   -0.00054    0.00527
  1.0     0.11039    3.66280   -0.39305      -0.04376   -0.00844   -0.02284
  1.0     1.80599    1.18889   -0.55909      -0.14954    0.01704   -0.06079
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   32.2000      0.01787    -76.41878      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08035    1.89990   -1.06784       0.01242   -0.00048    0.00540
  1.0     0.10601    3.66182   -0.39539      -0.04375   -0.01117   -0.02385
  1.0     1.79083    1.19068   -0.56523      -0.15342    0.01871   -0.06190
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   32.3000      0.01864    -76.41955      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08161    1.89986   -1.06729       0.01263   -0.00040    0.00553
  1.0     0.10164    3.66057   -0.39782      -0.04370   -0.01385   -0.02484
  1.0     1.77532    1.19263   -0.57147      -0.15678    0.02019   -0.06286
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   32.4000      0.01931    -76.42022      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08288    1.89982   -1.06673       0.01280   -0.00031    0.00563
  1.0     0.09727    3.65905   -0.40035      -0.04363   -0.01646   -0.02579
  1.0     1.75950    1.19471   -0.57779      -0.15957    0.02146   -0.06364
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   32.5000      0.01985    -76.42076      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08417    1.89979   -1.06616       0.01293   -0.00022    0.00573
  1.0     0.09291    3.65728   -0.40298      -0.04354   -0.01900   -0.02670
  1.0     1.74342    1.19691   -0.58419      -0.16174    0.02249   -0.06423
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   32.6000      0.02026    -76.42117      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08546    1.89978   -1.06559       0.01302   -0.00011    0.00581
  1.0     0.08856    3.65525   -0.40569      -0.04342   -0.02146   -0.02757
  1.0     1.72717    1.19920   -0.59063      -0.16324    0.02326   -0.06461
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   32.7000      0.02051    -76.42142      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08677    1.89977   -1.06500       0.01306    0.00000    0.00587
  1.0     0.08423    3.65299   -0.40849      -0.04328   -0.02382   -0.02839
  1.0     1.71080    1.20156   -0.59710      -0.16401    0.02375   -0.06477
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   32.8000      0.02059    -76.42150      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08807    1.89978   -1.06441       0.01305    0.00014    0.00591
  1.0     0.07991    3.65049   -0.41137      -0.04311   -0.02608   -0.02916
  1.0     1.69439    1.20394   -0.60358      -0.16401    0.02392   -0.06471
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   32.9000      0.02048    -76.42139      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08938    1.89980   -1.06382       0.01299    0.00028    0.00594
  1.0     0.07561    3.64778   -0.41432      -0.04292   -0.02823   -0.02988
  1.0     1.67803    1.20633   -0.61003      -0.16317    0.02374   -0.06440
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   33.0000      0.02018    -76.42109      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09067    1.89984   -1.06323       0.01286    0.00044    0.00595
  1.0     0.07132    3.64485   -0.41734      -0.04271   -0.03025   -0.03055
  1.0     1.66179    1.20868   -0.61645      -0.16145    0.02320   -0.06383
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   33.1000      0.01967    -76.42059      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09195    1.89989   -1.06263       0.01268    0.00062    0.00593
  1.0     0.06706    3.64173   -0.42043      -0.04248   -0.03214   -0.03115
  1.0     1.64577    1.21095   -0.62279      -0.15880    0.02226   -0.06299
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   33.2000      0.01897    -76.41988      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09320    1.89996   -1.06204       0.01244    0.00082    0.00590
  1.0     0.06283    3.63843   -0.42357      -0.04223   -0.03388   -0.03169
  1.0     1.63006    1.21312   -0.62904      -0.15517    0.02090   -0.06187
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   33.3000      0.01808    -76.41899      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09443    1.90005   -1.06145       0.01213    0.00103    0.00584
  1.0     0.05862    3.63496   -0.42676      -0.04197   -0.03547   -0.03217
  1.0     1.61477    1.21512   -0.63516      -0.15055    0.01909   -0.06047
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   33.4000      0.01700    -76.41791      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09563    1.90017   -1.06087       0.01176    0.00126    0.00576
  1.0     0.05444    3.63134   -0.43000      -0.04168   -0.03689   -0.03257
  1.0     1.59999    1.21692   -0.64112      -0.14489    0.01682   -0.05878
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   33.5000      0.01577    -76.41668      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09678    1.90031   -1.06030       0.01131    0.00152    0.00565
  1.0     0.05028    3.62759   -0.43328      -0.04137   -0.03813   -0.03290
  1.0     1.58583    1.21847   -0.64690      -0.13818    0.01408   -0.05679
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   33.6000      0.01441    -76.41532      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09789    1.90047   -1.05974       0.01080    0.00179    0.00552
  1.0     0.04616    3.62372   -0.43658      -0.04105   -0.03919   -0.03316
  1.0     1.57239    1.21972   -0.65247      -0.13042    0.01085   -0.05452
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   33.7000      0.01295    -76.41387      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09894    1.90066   -1.05920       0.01023    0.00207    0.00537
  1.0     0.04207    3.61976   -0.43990      -0.04071   -0.04006   -0.03333
  1.0     1.55978    1.22062   -0.65779      -0.12162    0.00714   -0.05195
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   33.8000      0.01145    -76.41237      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09993    1.90089   -1.05867       0.00959    0.00238    0.00520
  1.0     0.03802    3.61571   -0.44324      -0.04036   -0.04072   -0.03342
  1.0     1.54810    1.22113   -0.66285      -0.11182    0.00295   -0.04912
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   33.9000      0.00995    -76.41087      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10086    1.90114   -1.05816       0.00889    0.00270    0.00501
  1.0     0.03400    3.61162   -0.44659      -0.03999   -0.04117   -0.03342
  1.0     1.53744    1.22120   -0.66761      -0.10107   -0.00170   -0.04603
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   34.0000      0.00850    -76.40942      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10171    1.90143   -1.05767       0.00813    0.00304    0.00479
  1.0     0.03002    3.60749   -0.44992      -0.03960   -0.04141   -0.03333
  1.0     1.52791    1.22078   -0.67205      -0.08944   -0.00678   -0.04271
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   34.1000      0.00717    -76.40808      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10248    1.90175   -1.05720       0.00732    0.00338    0.00456
  1.0     0.02608    3.60334   -0.45325      -0.03920   -0.04141   -0.03315
  1.0     1.51958    1.21983   -0.67615      -0.07703   -0.01225   -0.03919
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   34.2000      0.00599    -76.40690      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10317    1.90210   -1.05676       0.00647    0.00373    0.00431
  1.0     0.02218    3.59921   -0.45655      -0.03878   -0.04118   -0.03288
  1.0     1.51253    1.21832   -0.67988      -0.06394   -0.01806   -0.03548
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   34.3000      0.00501    -76.40592      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10377    1.90249   -1.05634       0.00559    0.00409    0.00404
  1.0     0.01833    3.59512   -0.45982      -0.03835   -0.04071   -0.03251
  1.0     1.50681    1.21621   -0.68324      -0.05031   -0.02415   -0.03164
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   34.4000      0.00428    -76.40519      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10429    1.90292   -1.05595       0.00467    0.00444    0.00376
  1.0     0.01451    3.59108   -0.46305      -0.03791   -0.04000   -0.03204
  1.0     1.50248    1.21348   -0.68621      -0.03629   -0.03045   -0.02771
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   34.5000      0.00382    -76.40473      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10471    1.90338   -1.05559       0.00375    0.00478    0.00348
  1.0     0.01075    3.58712   -0.46623      -0.03744   -0.03904   -0.03148
  1.0     1.49956    1.21011   -0.68878      -0.02202   -0.03690   -0.02371
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   34.6000      0.00364    -76.40456      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10504    1.90388   -1.05526       0.00281    0.00512    0.00318
  1.0     0.00703    3.58328   -0.46934      -0.03696   -0.03783   -0.03081
  1.0     1.49808    1.20610   -0.69095      -0.00767   -0.04340   -0.01970
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   34.7000      0.00376    -76.40467      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10527    1.90441   -1.05495       0.00188    0.00543    0.00288
  1.0     0.00335    3.57957   -0.47239      -0.03647   -0.03637   -0.03004
  1.0     1.49803    1.20143   -0.69272       0.00660   -0.04987   -0.01572
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   34.8000      0.00414    -76.40506      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10541    1.90496   -1.05468       0.00097    0.00573    0.00258
  1.0    -0.00027    3.57601   -0.47535      -0.03596   -0.03467   -0.02917
  1.0     1.49939    1.19613   -0.69409       0.02061   -0.05623   -0.01180
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   34.9000      0.00478    -76.40570      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10546    1.90555   -1.05444       0.00008    0.00599    0.00228
  1.0    -0.00384    3.57264   -0.47822      -0.03543   -0.03271   -0.02820
  1.0     1.50213    1.19020   -0.69508       0.03423   -0.06239   -0.00800
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   35.0000      0.00564    -76.40655      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10543    1.90616   -1.05422      -0.00078    0.00623    0.00198
  1.0    -0.00735    3.56948   -0.48098      -0.03489   -0.03052   -0.02713
  1.0     1.50622    1.18366   -0.69570       0.04730   -0.06829   -0.00433
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   35.1000      0.00667    -76.40758      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10531    1.90679   -1.05404      -0.00160    0.00642    0.00169
  1.0    -0.01081    3.56654   -0.48364      -0.03432   -0.02810   -0.02597
  1.0     1.51157    1.17655   -0.69595       0.05970   -0.07385   -0.00085
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   35.2000      0.00781    -76.40873      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10511    1.90744   -1.05389      -0.00237    0.00658    0.00140
  1.0    -0.01422    3.56387   -0.48617      -0.03374   -0.02545   -0.02472
  1.0     1.51813    1.16890   -0.69587       0.07133   -0.07900    0.00245
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   35.3000      0.00904    -76.40995      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10484    1.90811   -1.05376      -0.00308    0.00670    0.00113
  1.0    -0.01756    3.56146   -0.48858      -0.03315   -0.02259   -0.02338
  1.0     1.52581    1.16076   -0.69547       0.08208   -0.08370    0.00552
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   35.4000      0.01028    -76.41119      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10450    1.90878   -1.05366      -0.00374    0.00677    0.00086
  1.0    -0.02084    3.55935   -0.49085      -0.03253   -0.01954   -0.02195
  1.0     1.53452    1.15218   -0.69478       0.09190   -0.08790    0.00836
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   35.5000      0.01150    -76.41241      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10409    1.90946   -1.05359      -0.00434    0.00680    0.00060
  1.0    -0.02406    3.55756   -0.49297      -0.03188   -0.01630   -0.02045
  1.0     1.54416    1.14320   -0.69381       0.10074   -0.09156    0.01096
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   35.6000      0.01265    -76.41356      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10363    1.91014   -1.05354      -0.00487    0.00678    0.00035
  1.0    -0.02722    3.55610   -0.49493      -0.03122   -0.01290   -0.01887
  1.0     1.55463    1.13389   -0.69259       0.10856   -0.09467    0.01330
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   35.7000      0.01369    -76.41461      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10312    1.91081   -1.05352      -0.00534    0.00671    0.00012
  1.0    -0.03031    3.55498   -0.49674      -0.03053   -0.00935   -0.01723
  1.0     1.56583    1.12429   -0.69116       0.11535   -0.09721    0.01540
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   35.8000      0.01461    -76.41552      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10256    1.91148   -1.05352      -0.00575    0.00661   -0.00011
  1.0    -0.03332    3.55423   -0.49838      -0.02981   -0.00568   -0.01553
  1.0     1.57766    1.11447   -0.68952       0.12112   -0.09918    0.01726
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   35.9000      0.01538    -76.41629      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10197    1.91213   -1.05354      -0.00610    0.00646   -0.00032
  1.0    -0.03627    3.55385   -0.49984      -0.02906   -0.00192   -0.01378
  1.0     1.59002    1.10447   -0.68771       0.12588   -0.10058    0.01887
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   36.0000      0.01598    -76.41689      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10135    1.91277   -1.05358      -0.00639    0.00627   -0.00052
  1.0    -0.03914    3.55385   -0.50113      -0.02828    0.00192   -0.01199
  1.0     1.60281    1.09437   -0.68575       0.12966   -0.10142    0.02025
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   36.1000      0.01641    -76.41733      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10069    1.91339   -1.05364      -0.00662    0.00604   -0.00071
  1.0    -0.04192    3.55424   -0.50224      -0.02748    0.00581   -0.01017
  1.0     1.61592    1.08421   -0.68367       0.13250   -0.10173    0.02141
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   36.2000      0.01668    -76.41759      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10002    1.91398   -1.05372      -0.00679    0.00578   -0.00088
  1.0    -0.04463    3.55501   -0.50317      -0.02663    0.00972   -0.00833
  1.0     1.62928    1.07404   -0.68148       0.13445   -0.10152    0.02237
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   36.3000      0.01678    -76.41769      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09934    1.91454   -1.05382      -0.00692    0.00549   -0.00105
  1.0    -0.04725    3.55618   -0.50391      -0.02575    0.01361   -0.00647
  1.0     1.64278    1.06392   -0.67920       0.13554   -0.10081    0.02312
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   36.4000      0.01672    -76.41763      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09864    1.91508   -1.05393      -0.00699    0.00518   -0.00120
  1.0    -0.04978    3.55774   -0.50446      -0.02484    0.01748   -0.00461
  1.0     1.65636    1.05389   -0.67686       0.13584   -0.09964    0.02370
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   36.5000      0.01652    -76.41743      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09794    1.91558   -1.05406      -0.00703    0.00484   -0.00134
  1.0    -0.05222    3.55967   -0.50483      -0.02388    0.02127   -0.00276
  1.0     1.66992    1.04401   -0.67447       0.13538   -0.09802    0.02410
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   36.6000      0.01618    -76.41710      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09724    1.91604   -1.05420      -0.00702    0.00447   -0.00148
  1.0    -0.05455    3.56199   -0.50501      -0.02289    0.02498   -0.00092
  1.0     1.68341    1.03430   -0.67204       0.13424   -0.09600    0.02435
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   36.7000      0.01573    -76.41664      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09654    1.91647   -1.05435      -0.00697    0.00410   -0.00160
  1.0    -0.05679    3.56467   -0.50501      -0.02185    0.02857    0.00089
  1.0     1.69675    1.02482   -0.66960       0.13245   -0.09359    0.02445
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   36.8000      0.01518    -76.41609      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09585    1.91686   -1.05452      -0.00689    0.00370   -0.00171
  1.0    -0.05892    3.56770   -0.50483      -0.02077    0.03202    0.00267
  1.0     1.70988    1.01560   -0.66716       0.13008   -0.09082    0.02442
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   36.9000      0.01454    -76.41546      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09516    1.91721   -1.05469      -0.00677    0.00330   -0.00181
  1.0    -0.06095    3.57107   -0.50448      -0.01965    0.03531    0.00441
  1.0     1.72275    1.00667   -0.66472       0.12716   -0.08773    0.02426
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   37.0000      0.01384    -76.41475      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09449    1.91752   -1.05488      -0.00663    0.00289   -0.00190
  1.0    -0.06285    3.57475   -0.50395      -0.01849    0.03841    0.00610
  1.0     1.73530    0.99806   -0.66231       0.12375   -0.08435    0.02400
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   37.1000      0.01308    -76.41399      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09384    1.91779   -1.05507      -0.00647    0.00248   -0.00198
  1.0    -0.06464    3.57874   -0.50326      -0.01728    0.04130    0.00772
  1.0     1.74748    0.98981   -0.65993       0.11990   -0.08069    0.02364
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   37.2000      0.01228    -76.41319      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09320    1.91802   -1.05527      -0.00628    0.00207   -0.00205
  1.0    -0.06631    3.58301   -0.50241      -0.01602    0.04396    0.00929
  1.0     1.75926    0.98193   -0.65758       0.11564   -0.07679    0.02319
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   37.3000      0.01145    -76.41236      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09258    1.91821   -1.05548      -0.00607    0.00166   -0.00211
  1.0    -0.06784    3.58753   -0.50141      -0.01472    0.04639    0.01078
  1.0     1.77060    0.97446   -0.65529       0.11102   -0.07266    0.02266
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   37.4000      0.01060    -76.41152      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09199    1.91835   -1.05570      -0.00584    0.00125   -0.00216
  1.0    -0.06925    3.59228   -0.50026      -0.01338    0.04856    0.01220
  1.0     1.78146    0.96740   -0.65305       0.10606   -0.06833    0.02206
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   37.5000      0.00976    -76.41067      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09141    1.91845   -1.05591      -0.00560    0.00084   -0.00220
  1.0    -0.07052    3.59723   -0.49897      -0.01199    0.05046    0.01354
  1.0     1.79180    0.96080   -0.65088       0.10081   -0.06382    0.02139
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   37.6000      0.00891    -76.40983      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09087    1.91852   -1.05614      -0.00534    0.00044   -0.00223
  1.0    -0.07165    3.60236   -0.49755      -0.01056    0.05209    0.01479
  1.0     1.80161    0.95465   -0.64878       0.09530   -0.05915    0.02067
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   37.7000      0.00809    -76.40900      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09035    1.91854   -1.05636      -0.00507    0.00006   -0.00226
  1.0    -0.07263    3.60764   -0.49601      -0.00909    0.05344    0.01596
  1.0     1.81085    0.94897   -0.64675       0.08954   -0.05434    0.01989
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   37.8000      0.00729    -76.40820      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08985    1.91853   -1.05659      -0.00479   -0.00032   -0.00227
  1.0    -0.07346    3.61304   -0.49436      -0.00758    0.05450    0.01703
  1.0     1.81951    0.94378   -0.64480       0.08358   -0.04939    0.01906
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   37.9000      0.00651    -76.40743      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08939    1.91848   -1.05681      -0.00450   -0.00069   -0.00228
  1.0    -0.07414    3.61853   -0.49261      -0.00603    0.05527    0.01802
  1.0     1.82757    0.93909   -0.64294       0.07743   -0.04434    0.01819
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   38.0000      0.00578    -76.40669      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08895    1.91839   -1.05704      -0.00420   -0.00104   -0.00228
  1.0    -0.07467    3.62408   -0.49076      -0.00445    0.05575    0.01891
  1.0     1.83499    0.93492   -0.64117       0.07112   -0.03920    0.01729
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   38.1000      0.00510    -76.40601      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08855    1.91827   -1.05727      -0.00390   -0.00138   -0.00227
  1.0    -0.07503    3.62967   -0.48883      -0.00283    0.05594    0.01971
  1.0     1.84179    0.93126   -0.63948       0.06467   -0.03397    0.01635
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   38.2000      0.00446    -76.40537      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08818    1.91812   -1.05750      -0.00359   -0.00171   -0.00226
  1.0    -0.07523    3.63526   -0.48683      -0.00119    0.05584    0.02041
  1.0     1.84792    0.92813   -0.63790       0.05810   -0.02867    0.01538
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   38.3000      0.00388    -76.40480      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08783    1.91793   -1.05772      -0.00327   -0.00203   -0.00223
  1.0    -0.07527    3.64083   -0.48475       0.00049    0.05547    0.02102
  1.0     1.85340    0.92553   -0.63641       0.05142   -0.02331    0.01439
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   38.4000      0.00337    -76.40428      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08752    1.91771   -1.05794      -0.00295   -0.00233   -0.00220
  1.0    -0.07513    3.64634   -0.48262       0.00219    0.05481    0.02154
  1.0     1.85821    0.92347   -0.63502       0.04465   -0.01791    0.01337
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   38.5000      0.00292    -76.40383      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08724    1.91747   -1.05816      -0.00263   -0.00261   -0.00216
  1.0    -0.07483    3.65178   -0.48045       0.00392    0.05389    0.02197
  1.0     1.86233    0.92195   -0.63373       0.03781   -0.01247    0.01234
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   38.6000      0.00254    -76.40345      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08700    1.91719   -1.05838      -0.00230   -0.00288   -0.00212
  1.0    -0.07435    3.65711   -0.47823       0.00567    0.05270    0.02231
  1.0     1.86577    0.92097   -0.63255       0.03091   -0.00700    0.01129
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   38.7000      0.00224    -76.40315      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08678    1.91689   -1.05858      -0.00198   -0.00313   -0.00207
  1.0    -0.07370    3.66231   -0.47599       0.00743    0.05126    0.02256
  1.0     1.86851    0.92055   -0.63148       0.02397   -0.00152    0.01022
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   38.8000      0.00201    -76.40292      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08660    1.91656   -1.05879      -0.00165   -0.00337   -0.00201
  1.0    -0.07286    3.66736   -0.47372       0.00921    0.04957    0.02273
  1.0     1.87056    0.92067   -0.63051       0.01699    0.00397    0.00915
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   38.9000      0.00186    -76.40277      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08645    1.91622   -1.05899      -0.00132   -0.00360   -0.00195
  1.0    -0.07185    3.67222   -0.47144       0.01100    0.04766    0.02282
  1.0     1.87191    0.92134   -0.62965       0.01000    0.00946    0.00806
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   39.0000      0.00179    -76.40271      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08634    1.91585   -1.05918      -0.00100   -0.00381   -0.00188
  1.0    -0.07066    3.67688   -0.46916       0.01280    0.04552    0.02282
  1.0     1.87256    0.92256   -0.62890       0.00301    0.01494    0.00697
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   39.1000      0.00181    -76.40273      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08625    1.91545   -1.05936      -0.00067   -0.00401   -0.00180
  1.0    -0.06929    3.68132   -0.46688       0.01460    0.04317    0.02275
  1.0     1.87251    0.92433   -0.62825      -0.00398    0.02040    0.00588
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   39.2000      0.00192    -76.40283      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08620    1.91504   -1.05954      -0.00034   -0.00419   -0.00173
  1.0    -0.06774    3.68551   -0.46461       0.01641    0.04062    0.02261
  1.0     1.87176    0.92664   -0.62772      -0.01096    0.02583    0.00478
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   39.3000      0.00211    -76.40302      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08618    1.91462   -1.05971      -0.00002   -0.00435   -0.00164
  1.0    -0.06601    3.68943   -0.46236       0.01822    0.03789    0.02240
  1.0     1.87032    0.92949   -0.62730      -0.01789    0.03122    0.00369
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   39.4000      0.00238    -76.40330      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08620    1.91417   -1.05987       0.00030   -0.00451   -0.00156
  1.0    -0.06410    3.69308   -0.46013       0.02002    0.03499    0.02212
  1.0     1.86818    0.93288   -0.62698      -0.02479    0.03657    0.00260
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   39.5000      0.00274    -76.40366      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08624    1.91372   -1.06002       0.00062   -0.00465   -0.00147
  1.0    -0.06201    3.69643   -0.45794       0.02181    0.03192    0.02177
  1.0     1.86536    0.93681   -0.62678      -0.03162    0.04187    0.00151
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   39.6000      0.00319    -76.40410      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08632    1.91324   -1.06016       0.00093   -0.00478   -0.00137
  1.0    -0.05974    3.69946   -0.45578       0.02359    0.02870    0.02137
  1.0     1.86186    0.94125   -0.62668      -0.03838    0.04710    0.00043
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   39.7000      0.00372    -76.40463      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08643    1.91276   -1.06029       0.00124   -0.00489   -0.00128
  1.0    -0.05729    3.70216   -0.45367       0.02536    0.02535    0.02091
  1.0     1.85769    0.94622   -0.62669      -0.04506    0.05226   -0.00063
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   39.8000      0.00432    -76.40523      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08657    1.91227   -1.06042       0.00154   -0.00499   -0.00118
  1.0    -0.05467    3.70453   -0.45160       0.02712    0.02188    0.02039
  1.0     1.85286    0.95170   -0.62680      -0.05162    0.05733   -0.00168
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   39.9000      0.00500    -76.40591      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08674    1.91176   -1.06053       0.00184   -0.00508   -0.00108
  1.0    -0.05187    3.70654   -0.44959       0.02885    0.01830    0.01983
  1.0     1.84737    0.95769   -0.62702      -0.05807    0.06231   -0.00271
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   40.0000      0.00575    -76.40666      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08694    1.91125   -1.06063       0.00213   -0.00515   -0.00098
  1.0    -0.04890    3.70818   -0.44764       0.03056    0.01462    0.01922
  1.0     1.84125    0.96416   -0.62735      -0.06438    0.06718   -0.00372
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   40.1000      0.00656    -76.40748      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08716    1.91073   -1.06072       0.00241   -0.00522   -0.00087
  1.0    -0.04575    3.70946   -0.44575       0.03225    0.01086    0.01857
  1.0     1.83450    0.97112   -0.62777      -0.07053    0.07194   -0.00470
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   40.2000      0.00743    -76.40835      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08742    1.91021   -1.06081       0.00268   -0.00527   -0.00077
  1.0    -0.04245    3.71035   -0.44393       0.03391    0.00704    0.01788
  1.0     1.82714    0.97855   -0.62828      -0.07650    0.07657   -0.00565
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   40.3000      0.00835    -76.40926      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08770    1.90968   -1.06088       0.00295   -0.00531   -0.00067
  1.0    -0.03897    3.71086   -0.44217       0.03553    0.00315    0.01715
  1.0     1.81920    0.98643   -0.62890      -0.08227    0.08105   -0.00656
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   40.4000      0.00931    -76.41022      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08801    1.90915   -1.06094       0.00319   -0.00533   -0.00056
  1.0    -0.03534    3.71098   -0.44050       0.03712   -0.00078    0.01639
  1.0     1.81070    0.99475   -0.62959      -0.08781    0.08537   -0.00743
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   40.5000      0.01029    -76.41121      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08834    1.90861   -1.06099       0.00343   -0.00534   -0.00046
  1.0    -0.03155    3.71071   -0.43890       0.03867   -0.00474    0.01560
  1.0     1.80165    1.00350   -0.63038      -0.09310    0.08952   -0.00825
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   40.6000      0.01130    -76.41221      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08869    1.90808   -1.06103       0.00365   -0.00534   -0.00036
  1.0    -0.02761    3.71003   -0.43738       0.04019   -0.00872    0.01479
  1.0     1.79209    1.01265   -0.63124      -0.09810    0.09348   -0.00901
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   40.7000      0.01230    -76.41322      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08907    1.90755   -1.06106       0.00385   -0.00533   -0.00027
  1.0    -0.02352    3.70896   -0.43594       0.04165   -0.01270    0.01396
  1.0     1.78204    1.02218   -0.63218      -0.10279    0.09722   -0.00972
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   40.8000      0.01330    -76.41421      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08946    1.90702   -1.06109       0.00404   -0.00530   -0.00017
  1.0    -0.01928    3.70749   -0.43459       0.04308   -0.01667    0.01311
  1.0     1.77154    1.03208   -0.63318      -0.10714    0.10075   -0.01035
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   40.9000      0.01427    -76.41518      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08987    1.90649   -1.06110       0.00420   -0.00526   -0.00008
  1.0    -0.01490    3.70563   -0.43332       0.04445   -0.02061    0.01225
  1.0     1.76062    1.04233   -0.63425      -0.11110    0.10402   -0.01090
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   41.0000      0.01520    -76.41611      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09030    1.90596   -1.06110       0.00434   -0.00520    0.00000
  1.0    -0.01039    3.70337   -0.43214       0.04577   -0.02451    0.01137
  1.0     1.74933    1.05288   -0.63536      -0.11464    0.10704   -0.01136
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   41.1000      0.01607    -76.41698      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09074    1.90545   -1.06110       0.00445   -0.00513    0.00008
  1.0    -0.00575    3.70073   -0.43104       0.04704   -0.02836    0.01050
  1.0     1.73771    1.06372   -0.63652      -0.11773    0.10976   -0.01172
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   41.2000      0.01687    -76.41778      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09119    1.90494   -1.06109       0.00454   -0.00504    0.00015
  1.0    -0.00099    3.69770   -0.43004       0.04824   -0.03215    0.00962
  1.0     1.72580    1.07482   -0.63770      -0.12031    0.11218   -0.01198
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   41.3000      0.01757    -76.41849      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09165    1.90444   -1.06107       0.00460   -0.00494    0.00021
  1.0     0.00390    3.69430   -0.42912       0.04939   -0.03585    0.00875
  1.0     1.71367    1.08615   -0.63891      -0.12234    0.11427   -0.01211
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   41.4000      0.01817    -76.41908      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09211    1.90395   -1.06105       0.00462   -0.00482    0.00027
  1.0     0.00889    3.69054   -0.42829       0.05047   -0.03945    0.00789
  1.0     1.70136    1.09766   -0.64012      -0.12379    0.11600   -0.01211
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   41.5000      0.01864    -76.41955      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09257    1.90348   -1.06102       0.00461   -0.00469    0.00031
  1.0     0.01399    3.68642   -0.42754       0.05149   -0.04294    0.00704
  1.0     1.68893    1.10934   -0.64132      -0.12459    0.11736   -0.01196
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   41.6000      0.01896    -76.41987      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09303    1.90301   -1.06098       0.00455   -0.00454    0.00034
  1.0     0.01919    3.68195   -0.42688       0.05244   -0.04630    0.00620
  1.0     1.67646    1.12112   -0.64250      -0.12471    0.11832   -0.01165
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   41.7000      0.01913    -76.42004      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09348    1.90257   -1.06095       0.00446   -0.00437    0.00036
  1.0     0.02447    3.67716   -0.42630       0.05332   -0.04951    0.00539
  1.0     1.66401    1.13299   -0.64365      -0.12409    0.11887   -0.01117
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   41.8000      0.01914    -76.42005      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09392    1.90214   -1.06091       0.00432   -0.00418    0.00037
  1.0     0.02985    3.67205   -0.42580       0.05413   -0.05257    0.00461
  1.0     1.65167    1.14488   -0.64473      -0.12270    0.11897   -0.01050
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   41.9000      0.01897    -76.41989      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09434    1.90173   -1.06087       0.00414   -0.00398    0.00036
  1.0     0.03530    3.66665   -0.42538       0.05486   -0.05544    0.00386
  1.0     1.63950    1.15677   -0.64574      -0.12049    0.11862   -0.00964
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   42.0000      0.01864    -76.41955      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09475    1.90135   -1.06084       0.00390   -0.00376    0.00034
  1.0     0.04082    3.66097   -0.42503       0.05551   -0.05813    0.00315
  1.0     1.62760    1.16859   -0.64665      -0.11742    0.11780   -0.00857
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   42.1000      0.01813    -76.41904      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09512    1.90098   -1.06081       0.00361   -0.00352    0.00030
  1.0     0.04640    3.65503   -0.42475       0.05609   -0.06060    0.00248
  1.0     1.61605    1.18031   -0.64745      -0.11346    0.11649   -0.00728
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   42.2000      0.01745    -76.41837      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09547    1.90064   -1.06078       0.00328   -0.00327    0.00025
  1.0     0.05203    3.64886   -0.42453       0.05659   -0.06284    0.00186
  1.0     1.60494    1.19187   -0.64810      -0.10859    0.11470   -0.00576
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   42.3000      0.01663    -76.41755      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09578    1.90033   -1.06076       0.00289   -0.00300    0.00017
  1.0     0.05771    3.64247   -0.42437       0.05700   -0.06485    0.00129
  1.0     1.59436    1.20323   -0.64859      -0.10279    0.11241   -0.00401
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   42.4000      0.01569    -76.41660      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09604    1.90004   -1.06075       0.00244   -0.00271    0.00008
  1.0     0.06343    3.63590   -0.42427       0.05733   -0.06659    0.00079
  1.0     1.58441    1.21434   -0.64890      -0.09605    0.10964   -0.00203
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   42.5000      0.01464    -76.41555      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09626    1.89979   -1.06074       0.00194   -0.00242   -0.00003
  1.0     0.06918    3.62917   -0.42421       0.05758   -0.06806    0.00035
  1.0     1.57518    1.22514   -0.64899      -0.08839    0.10639    0.00020
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   42.6000      0.01352    -76.41443      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09643    1.89956   -1.06075       0.00139   -0.00211   -0.00017
  1.0     0.07494    3.62230   -0.42420       0.05775   -0.06923   -0.00002
  1.0     1.56676    1.23560   -0.64885      -0.07982    0.10268    0.00266
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   42.7000      0.01237    -76.41328      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09654    1.89936   -1.06078       0.00079   -0.00179   -0.00032
  1.0     0.08072    3.61533   -0.42421       0.05783   -0.07011   -0.00031
  1.0     1.55925    1.24567   -0.64845      -0.07039    0.09853    0.00534
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   42.8000      0.01123    -76.41214      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09659    1.89920   -1.06082       0.00015   -0.00147   -0.00049
  1.0     0.08651    3.60829   -0.42425       0.05783   -0.07066   -0.00051
  1.0     1.55271    1.25529   -0.64778      -0.06015    0.09397    0.00823
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   42.9000      0.01014    -76.41105      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09657    1.89907   -1.06087      -0.00054   -0.00114   -0.00067
  1.0     0.09229    3.60121   -0.42431       0.05775   -0.07089   -0.00063
  1.0     1.54724    1.26445   -0.64680      -0.04918    0.08905    0.01132
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   43.0000      0.00915    -76.41006      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09648    1.89897   -1.06095      -0.00126   -0.00082   -0.00088
  1.0     0.09805    3.59412   -0.42438       0.05759   -0.07077   -0.00066
  1.0     1.54290    1.27309   -0.64551      -0.03756    0.08381    0.01458
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   43.1000      0.00829    -76.40920      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09631    1.89891   -1.06105      -0.00201   -0.00050   -0.00109
  1.0     0.10380    3.58707   -0.42444       0.05735   -0.07031   -0.00060
  1.0     1.53975    1.28120   -0.64388      -0.02541    0.07830    0.01797
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   43.2000      0.00759    -76.40851      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09607    1.89887   -1.06117      -0.00278   -0.00019   -0.00133
  1.0     0.10952    3.58007   -0.42449       0.05704   -0.06949   -0.00043
  1.0     1.53783    1.28875   -0.64191      -0.01284    0.07258    0.02148
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   43.3000      0.00709    -76.40800      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09576    1.89887   -1.06132      -0.00357    0.00010   -0.00157
  1.0     0.11521    3.57318   -0.42452       0.05665   -0.06830   -0.00016
  1.0     1.53719    1.29571   -0.63958       0.00001    0.06670    0.02505
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   43.4000      0.00680    -76.40771      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09536    1.89889   -1.06149      -0.00436    0.00038   -0.00182
  1.0     0.12085    3.56642   -0.42452       0.05619   -0.06676    0.00021
  1.0     1.53784    1.30208   -0.63690       0.01301    0.06074    0.02866
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   43.5000      0.00673    -76.40764      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09488    1.89894   -1.06168      -0.00515    0.00064   -0.00208
  1.0     0.12644    3.55984   -0.42448       0.05567   -0.06485    0.00069
  1.0     1.53979    1.30786   -0.63385       0.02601    0.05475    0.03226
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   43.6000      0.00687    -76.40778      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09433    1.89902   -1.06190      -0.00592    0.00087   -0.00234
  1.0     0.13198    3.55347   -0.42438       0.05508   -0.06258    0.00128
  1.0     1.54304    1.31303   -0.63045       0.03888    0.04880    0.03580
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   43.7000      0.00722    -76.40813      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09370    1.89912   -1.06215      -0.00667    0.00107   -0.00260
  1.0     0.13746    3.54734   -0.42422       0.05444   -0.05996    0.00197
  1.0     1.54756    1.31762   -0.62669       0.05146    0.04293    0.03926
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   43.8000      0.00775    -76.40866      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09300    1.89923   -1.06242      -0.00740    0.00125   -0.00286
  1.0     0.14287    3.54148   -0.42398       0.05375   -0.05700    0.00277
  1.0     1.55331    1.32163   -0.62260       0.06363    0.03721    0.04259
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   43.9000      0.00843    -76.40935      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09222    1.89936   -1.06272      -0.00808    0.00139   -0.00311
  1.0     0.14820    3.53595   -0.42366       0.05301   -0.05371    0.00367
  1.0     1.56026    1.32507   -0.61818       0.07527    0.03169    0.04575
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   44.0000      0.00924    -76.41015      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09138    1.89951   -1.06304      -0.00873    0.00149   -0.00336
  1.0     0.15347    3.53075   -0.42324       0.05222   -0.05011    0.00467
  1.0     1.56835    1.32797   -0.61346       0.08626    0.02639    0.04871
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   44.1000      0.01013    -76.41105      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09048    1.89966   -1.06339      -0.00932    0.00157   -0.00360
  1.0     0.15865    3.52593   -0.42272       0.05140   -0.04621    0.00577
  1.0     1.57749    1.33036   -0.60845       0.09653    0.02137    0.05144
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   44.2000      0.01108    -76.41199      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08952    1.89982   -1.06376      -0.00986    0.00160   -0.00384
  1.0     0.16374    3.52152   -0.42209       0.05055   -0.04204    0.00695
  1.0     1.58763    1.33225   -0.60318       0.10599    0.01664    0.05392
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   44.3000      0.01203    -76.41294      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08851    1.89998   -1.06416      -0.01035    0.00160   -0.00405
  1.0     0.16876    3.51753   -0.42133       0.04967   -0.03763    0.00821
  1.0     1.59866    1.33369   -0.59767       0.11459    0.01223    0.05613
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   44.4000      0.01296    -76.41387      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08745    1.90014   -1.06457      -0.01078    0.00157   -0.00426
  1.0     0.17368    3.51400   -0.42044       0.04877   -0.03301    0.00954
  1.0     1.61051    1.33471   -0.59196       0.12228    0.00814    0.05805
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   44.5000      0.01384    -76.41476      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08635    1.90029   -1.06501      -0.01114    0.00150   -0.00445
  1.0     0.17851    3.51094   -0.41942       0.04785   -0.02820    0.01093
  1.0     1.62309    1.33533   -0.58607       0.12903    0.00439    0.05968
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   44.6000      0.01465    -76.41556      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08522    1.90044   -1.06546      -0.01145    0.00140   -0.00462
  1.0     0.18325    3.50837   -0.41826       0.04691   -0.02324    0.01236
  1.0     1.63629    1.33560   -0.58004       0.13484    0.00098    0.06101
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   44.7000      0.01535    -76.41627      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08407    1.90057   -1.06593      -0.01170    0.00128   -0.00478
  1.0     0.18789    3.50630   -0.41695       0.04595   -0.01816    0.01384
  1.0     1.65002    1.33554   -0.57388       0.13971   -0.00210    0.06205
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   44.8000      0.01595    -76.41686      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08289    1.90069   -1.06642      -0.01189    0.00113   -0.00492
  1.0     0.19244    3.50474   -0.41549       0.04499   -0.01301    0.01534
  1.0     1.66420    1.33519   -0.56764       0.14366   -0.00484    0.06279
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   44.9000      0.01643    -76.41734      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08169    1.90080   -1.06692      -0.01202    0.00095   -0.00505
  1.0     0.19689    3.50369   -0.41388       0.04402   -0.00782    0.01685
  1.0     1.67872    1.33458   -0.56133       0.14670   -0.00728    0.06324
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   45.0000      0.01678    -76.41769      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08048    1.90088   -1.06743      -0.01209    0.00076   -0.00515
  1.0     0.20124    3.50317   -0.41212       0.04303   -0.00263    0.01835
  1.0     1.69351    1.33375   -0.55500       0.14886   -0.00940    0.06342
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   45.1000      0.01700    -76.41791      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07927    1.90095   -1.06795      -0.01211    0.00055   -0.00524
  1.0     0.20549    3.50317   -0.41021       0.04205    0.00253    0.01984
  1.0     1.70847    1.33271   -0.54866       0.15019   -0.01124    0.06333
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   45.2000      0.01710    -76.41801      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07806    1.90099   -1.06848      -0.01208    0.00033   -0.00531
  1.0     0.20965    3.50368   -0.40815       0.04105    0.00762    0.02130
  1.0     1.72352    1.33151   -0.54234       0.15073   -0.01280    0.06298
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   45.3000      0.01707    -76.41799      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07686    1.90101   -1.06901      -0.01201    0.00009   -0.00536
  1.0     0.21370    3.50469   -0.40595       0.04005    0.01259    0.02272
  1.0     1.73859    1.33016   -0.53607       0.15051   -0.01410    0.06240
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   45.4000      0.01693    -76.41785      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07566    1.90101   -1.06955      -0.01188   -0.00014   -0.00540
  1.0     0.21766    3.50619   -0.40361       0.03904    0.01743    0.02408
  1.0     1.75360    1.32870   -0.52987       0.14958   -0.01516    0.06158
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   45.5000      0.01669    -76.41760      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07448    1.90098   -1.07009      -0.01172   -0.00038   -0.00541
  1.0     0.22151    3.50817   -0.40114       0.03802    0.02209    0.02537
  1.0     1.76848    1.32714   -0.52376       0.14799   -0.01599    0.06056
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   45.6000      0.01634    -76.41725      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07332    1.90093   -1.07063      -0.01152   -0.00063   -0.00541
  1.0     0.22526    3.51060   -0.39854       0.03699    0.02655    0.02658
  1.0     1.78318    1.32551   -0.51776       0.14578   -0.01661    0.05933
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   45.7000      0.01591    -76.41682      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07218    1.90086   -1.07117      -0.01128   -0.00087   -0.00540
  1.0     0.22891    3.51347   -0.39582       0.03595    0.03078    0.02770
  1.0     1.79762    1.32382   -0.51190       0.14301   -0.01703    0.05793
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   45.8000      0.01539    -76.41631      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07107    1.90076   -1.07171      -0.01100   -0.00110   -0.00536
  1.0     0.23245    3.51675   -0.39300       0.03490    0.03476    0.02872
  1.0     1.81176    1.32211   -0.50618       0.13972   -0.01728    0.05635
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   45.9000      0.01481    -76.41572      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06998    1.90064   -1.07224      -0.01070   -0.00133   -0.00531
  1.0     0.23589    3.52041   -0.39008       0.03383    0.03846    0.02963
  1.0     1.82555    1.32037   -0.50063       0.13594   -0.01736    0.05462
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   46.0000      0.01417    -76.41508      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06893    1.90049   -1.07277      -0.01036   -0.00155   -0.00524
  1.0     0.23922    3.52443   -0.38708       0.03275    0.04187    0.03042
  1.0     1.83893    1.31864   -0.49526       0.13171   -0.01729    0.05275
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   46.1000      0.01347    -76.41439      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06791    1.90033   -1.07329      -0.01000   -0.00176   -0.00516
  1.0     0.24244    3.52878   -0.38400       0.03165    0.04498    0.03109
  1.0     1.85188    1.31692   -0.49009       0.12709   -0.01708    0.05075
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   46.2000      0.01274    -76.41365      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06693    1.90014   -1.07380      -0.00962   -0.00195   -0.00506
  1.0     0.24555    3.53342   -0.38087       0.03053    0.04777    0.03163
  1.0     1.86434    1.31523   -0.48512       0.12209   -0.01675    0.04863
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   46.3000      0.01197    -76.41288      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06599    1.89994   -1.07430      -0.00921   -0.00214   -0.00494
  1.0     0.24854    3.53832   -0.37768       0.02939    0.05023    0.03205
  1.0     1.87628    1.31357   -0.48036       0.11677   -0.01630    0.04640
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   46.4000      0.01118    -76.41209      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06509    1.89972   -1.07479      -0.00878   -0.00231   -0.00481
  1.0     0.25142    3.54345   -0.37446       0.02822    0.05237    0.03232
  1.0     1.88768    1.31197   -0.47584       0.11113   -0.01575    0.04408
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   46.5000      0.01037    -76.41129      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06423    1.89948   -1.07526      -0.00833   -0.00246   -0.00467
  1.0     0.25419    3.54878   -0.37122       0.02704    0.05417    0.03247
  1.0     1.89850    1.31043   -0.47155       0.10523   -0.01510    0.04166
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   46.6000      0.00956    -76.41047      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06342    1.89922   -1.07572      -0.00787   -0.00260   -0.00451
  1.0     0.25683    3.55427   -0.36797       0.02583    0.05563    0.03247
  1.0     1.90872    1.30895   -0.46751       0.09908   -0.01437    0.03917
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   46.7000      0.00875    -76.40966      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06266    1.89896   -1.07616      -0.00739   -0.00272   -0.00434
  1.0     0.25935    3.55990   -0.36473       0.02459    0.05677    0.03234
  1.0     1.91831    1.30756   -0.46372       0.09270   -0.01356    0.03661
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   46.8000      0.00794    -76.40886      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06194    1.89868   -1.07659      -0.00690   -0.00283   -0.00416
  1.0     0.26175    3.56562   -0.36151       0.02333    0.05758    0.03208
  1.0     1.92725    1.30624   -0.46019       0.08613   -0.01268    0.03399
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   46.9000      0.00716    -76.40807      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06128    1.89839   -1.07700      -0.00639   -0.00292   -0.00397
  1.0     0.26402    3.57140   -0.35832       0.02205    0.05807    0.03169
  1.0     1.93553    1.30502   -0.45692       0.07938   -0.01174    0.03131
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   47.0000      0.00639    -76.40730      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06067    1.89810   -1.07738      -0.00587   -0.00299   -0.00376
  1.0     0.26616    3.57722   -0.35517       0.02074    0.05824    0.03116
  1.0     1.94312    1.30390   -0.45393       0.07248   -0.01074    0.02858
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   47.1000      0.00566    -76.40657      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06011    1.89779   -1.07775      -0.00535   -0.00305   -0.00355
  1.0     0.26816    3.58304   -0.35209       0.01941    0.05811    0.03052
  1.0     1.95002    1.30287   -0.45121       0.06544   -0.00970    0.02580
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   47.2000      0.00496    -76.40587      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.05960    1.89749   -1.07809      -0.00481   -0.00309   -0.00332
  1.0     0.27004    3.58883   -0.34908       0.01805    0.05768    0.02975
  1.0     1.95621    1.30196   -0.44877       0.05828   -0.00861    0.02299
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   47.3000      0.00431    -76.40522      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.05914    1.89718   -1.07841      -0.00427   -0.00312   -0.00309
  1.0     0.27177    3.59457   -0.34614       0.01667    0.05698    0.02886
  1.0     1.96167    1.30115   -0.44661       0.05102   -0.00749    0.02015
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   47.4000      0.00371    -76.40462      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.05874    1.89686   -1.07871      -0.00371   -0.00313   -0.00284
  1.0     0.27337    3.60022   -0.34331       0.01527    0.05599    0.02786
  1.0     1.96641    1.30046   -0.44474       0.04367   -0.00633    0.01728
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   47.5000      0.00316    -76.40407      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.05840    1.89655   -1.07898      -0.00316   -0.00313   -0.00259
  1.0     0.27483    3.60576   -0.34058       0.01385    0.05475    0.02676
  1.0     1.97041    1.29989   -0.44316       0.03625   -0.00514    0.01439
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   47.6000      0.00267    -76.40358      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.05811    1.89624   -1.07923      -0.00259   -0.00311   -0.00233
  1.0     0.27614    3.61116   -0.33796       0.01240    0.05327    0.02555
  1.0     1.97366    1.29943   -0.44186       0.02877   -0.00393    0.01148
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   47.7000      0.00225    -76.40316      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.05788    1.89593   -1.07945      -0.00203   -0.00308   -0.00207
  1.0     0.27731    3.61640   -0.33547       0.01094    0.05155    0.02424
  1.0     1.97616    1.29910   -0.44086       0.02124   -0.00271    0.00856
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   47.8000      0.00189    -76.40281      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.05771    1.89562   -1.07964      -0.00146   -0.00303   -0.00179
  1.0     0.27833    3.62146   -0.33311       0.00945    0.04961    0.02285
  1.0     1.97791    1.29889   -0.44015       0.01368   -0.00146    0.00562
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   47.9000      0.00162    -76.40253      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.05759    1.89532   -1.07981      -0.00089   -0.00298   -0.00152
  1.0     0.27920    3.62632   -0.33090       0.00795    0.04746    0.02137
  1.0     1.97889    1.29881   -0.43974       0.00610   -0.00021    0.00268
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   48.0000      0.00142    -76.40233      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.05753    1.89503   -1.07994      -0.00031   -0.00291   -0.00123
  1.0     0.27992    3.63095   -0.32884       0.00644    0.04513    0.01981
  1.0     1.97913    1.29885   -0.43962      -0.00149    0.00104   -0.00026
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   48.1000      0.00130    -76.40221      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.05753    1.89474   -1.08005       0.00026   -0.00283   -0.00094
  1.0     0.28048    3.63534   -0.32694       0.00491    0.04262    0.01818
  1.0     1.97860    1.29902   -0.43979      -0.00907    0.00230   -0.00320
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   48.2000      0.00126    -76.40217      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.05758    1.89446   -1.08013       0.00084   -0.00274   -0.00065
  1.0     0.28090    3.63947   -0.32521       0.00336    0.03994    0.01649
  1.0     1.97731    1.29931   -0.44026      -0.01664    0.00356   -0.00613
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   48.3000      0.00131    -76.40222      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.05770    1.89419   -1.08018       0.00141   -0.00264   -0.00036
  1.0     0.28116    3.64332   -0.32365       0.00181    0.03712    0.01473
  1.0     1.97527    1.29973   -0.44101      -0.02419    0.00481   -0.00905
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   48.4000      0.00144    -76.40235      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.05787    1.89394   -1.08021       0.00198   -0.00253   -0.00006
  1.0     0.28126    3.64689   -0.32226       0.00024    0.03416    0.01291
  1.0     1.97248    1.30027   -0.44206      -0.03169    0.00605   -0.01196
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   48.5000      0.00166    -76.40257      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.05809    1.89369   -1.08020       0.00255   -0.00242    0.00024
  1.0     0.28120    3.65015   -0.32107      -0.00133    0.03108    0.01105
  1.0     1.96893    1.30094   -0.44341      -0.03914    0.00728   -0.01485
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   48.6000      0.00197    -76.40288      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.05838    1.89345   -1.08016       0.00312   -0.00229    0.00054
  1.0     0.28099    3.65310   -0.32006      -0.00292    0.02789    0.00914
  1.0     1.96465    1.30173   -0.44503      -0.04652    0.00848   -0.01772
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   48.7000      0.00236    -76.40327      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.05871    1.89323   -1.08009       0.00368   -0.00216    0.00084
  1.0     0.28062    3.65572   -0.31924      -0.00451    0.02461    0.00720
  1.0     1.95963    1.30264   -0.44695      -0.05382    0.00966   -0.02056
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   48.8000      0.00283    -76.40375      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.05911    1.89302   -1.07999       0.00423   -0.00202    0.00114
  1.0     0.28009    3.65802   -0.31862      -0.00610    0.02124    0.00522
  1.0     1.95389    1.30366   -0.44914      -0.06103    0.01081   -0.02336
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   48.9000      0.00339    -76.40430      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.05956    1.89283   -1.07986       0.00478   -0.00187    0.00144
  1.0     0.27940    3.65997   -0.31820      -0.00770    0.01781    0.00321
  1.0     1.94743    1.30480   -0.45162      -0.06813    0.01193   -0.02614
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   49.0000      0.00402    -76.40493      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06007    1.89265   -1.07970       0.00532   -0.00172    0.00174
  1.0     0.27855    3.66158   -0.31798      -0.00930    0.01432    0.00118
  1.0     1.94027    1.30604   -0.45437      -0.07509    0.01300   -0.02886
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   49.1000      0.00472    -76.40563      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06062    1.89248   -1.07951       0.00585   -0.00156    0.00204
  1.0     0.27754    3.66283   -0.31796      -0.01090    0.01079   -0.00086
  1.0     1.93242    1.30740   -0.45739      -0.08191    0.01403   -0.03154
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   49.2000      0.00549    -76.40640      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06123    1.89233   -1.07929       0.00637   -0.00140    0.00234
  1.0     0.27637    3.66373   -0.31815      -0.01250    0.00723   -0.00291
  1.0     1.92389    1.30885   -0.46068      -0.08857    0.01501   -0.03417
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   49.3000      0.00632    -76.40723      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06190    1.89220   -1.07904       0.00688   -0.00123    0.00263
  1.0     0.27504    3.66428   -0.31854      -0.01410    0.00366   -0.00497
  1.0     1.91471    1.31040   -0.46422      -0.09503    0.01593   -0.03673
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   49.4000      0.00720    -76.40811      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06261    1.89209   -1.07877       0.00737   -0.00106    0.00292
  1.0     0.27355    3.66447   -0.31914      -0.01570    0.00008   -0.00703
  1.0     1.90489    1.31203   -0.46802      -0.10129    0.01677   -0.03923
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   49.5000      0.00812    -76.40903      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06337    1.89199   -1.07846       0.00785   -0.00089    0.00320
  1.0     0.27190    3.66429   -0.31995      -0.01729   -0.00349   -0.00909
  1.0     1.89446    1.31375   -0.47207      -0.10731    0.01754   -0.04165
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   49.6000      0.00907    -76.40998      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06418    1.89191   -1.07813       0.00831   -0.00071    0.00347
  1.0     0.27009    3.66377   -0.32096      -0.01887   -0.00704   -0.01113
  1.0     1.88344    1.31554   -0.47635      -0.11307    0.01823   -0.04398
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   49.7000      0.01005    -76.41096      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06503    1.89185   -1.07777       0.00876   -0.00052    0.00374
  1.0     0.26813    3.66289   -0.32218      -0.02045   -0.01055   -0.01316
  1.0     1.87185    1.31739   -0.48086      -0.11855    0.01882   -0.04622
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   49.8000      0.01103    -76.41194      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06593    1.89181   -1.07738       0.00918   -0.00033    0.00400
  1.0     0.26600    3.66166   -0.32359      -0.02202   -0.01401   -0.01517
  1.0     1.85974    1.31930   -0.48559      -0.12370    0.01930   -0.04836
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   49.9000      0.01200    -76.41292      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06687    1.89178   -1.07697       0.00958   -0.00014    0.00425
  1.0     0.26372    3.66009   -0.32521      -0.02358   -0.01742   -0.01714
  1.0     1.84712    1.32125   -0.49053      -0.12850    0.01967   -0.05038
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   50.0000      0.01296    -76.41387      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06785    1.89178   -1.07653       0.00996    0.00005    0.00450
  1.0     0.26129    3.65818   -0.32702      -0.02513   -0.02075   -0.01909
  1.0     1.83405    1.32323   -0.49566      -0.13292    0.01991   -0.05227
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   50.1000      0.01388    -76.41480      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06886    1.89179   -1.07607       0.01031    0.00025    0.00473
  1.0     0.25870    3.65594   -0.32903      -0.02667   -0.02399   -0.02100
  1.0     1.82056    1.32523   -0.50098      -0.13691    0.02001   -0.05403
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   50.2000      0.01476    -76.41567      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06991    1.89183   -1.07558       0.01063    0.00045    0.00495
  1.0     0.25595    3.65338   -0.33122      -0.02820   -0.02714   -0.02286
  1.0     1.80668    1.32723   -0.50646      -0.14044    0.01995   -0.05564
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   50.3000      0.01556    -76.41647      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07098    1.89188   -1.07508       0.01091    0.00066    0.00515
  1.0     0.25306    3.65052   -0.33360      -0.02971   -0.03017   -0.02468
  1.0     1.79248    1.32921   -0.51210      -0.14347    0.01972   -0.05709
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   50.4000      0.01628    -76.41719      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07209    1.89196   -1.07455       0.01116    0.00087    0.00534
  1.0     0.25001    3.64735   -0.33615      -0.03120   -0.03308   -0.02644
  1.0     1.77801    1.33116   -0.51787      -0.14595    0.01931   -0.05836
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   50.5000      0.01690    -76.41781      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07321    1.89206   -1.07401       0.01137    0.00108    0.00552
  1.0     0.24682    3.64391   -0.33888      -0.03268   -0.03584   -0.02814
  1.0     1.76331    1.33307   -0.52376      -0.14784    0.01870   -0.05944
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   50.6000      0.01740    -76.41831      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07436    1.89218   -1.07345       0.01155    0.00130    0.00568
  1.0     0.24348    3.64019   -0.34178      -0.03414   -0.03845   -0.02978
  1.0     1.74846    1.33490   -0.52975      -0.14910    0.01787   -0.06032
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   50.7000      0.01777    -76.41868      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07552    1.89232   -1.07288       0.01167    0.00152    0.00582
  1.0     0.23999    3.63622   -0.34484      -0.03557   -0.04090   -0.03134
  1.0     1.73352    1.33663   -0.53582      -0.14968    0.01680   -0.06098
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   50.8000      0.01799    -76.41890      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07669    1.89248   -1.07229       0.01175    0.00174    0.00594
  1.0     0.23636    3.63202   -0.34805      -0.03699   -0.04316   -0.03283
  1.0     1.71855    1.33825   -0.54194      -0.14952    0.01547   -0.06140
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   50.9000      0.01806    -76.41897      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07787    1.89267   -1.07169       0.01178    0.00198    0.00604
  1.0     0.23259    3.62760   -0.35140      -0.03838   -0.04523   -0.03423
  1.0     1.70364    1.33972   -0.54809      -0.14860    0.01388   -0.06158
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   51.0000      0.01796    -76.41888      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07905    1.89288   -1.07108       0.01176    0.00221    0.00612
  1.0     0.22869    3.62298   -0.35489      -0.03974   -0.04710   -0.03554
  1.0     1.68886    1.34101   -0.55425      -0.14686    0.01200   -0.06151
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   51.1000      0.01770    -76.41861      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08022    1.89311   -1.07047       0.01168    0.00245    0.00617
  1.0     0.22465    3.61818   -0.35850      -0.04108   -0.04874   -0.03676
  1.0     1.67429    1.34211   -0.56039      -0.14428    0.00982   -0.06117
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   51.2000      0.01727    -76.41818      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08138    1.89337   -1.06985       0.01154    0.00270    0.00620
  1.0     0.22047    3.61324   -0.36224      -0.04239   -0.05015   -0.03788
  1.0     1.66003    1.34297   -0.56647      -0.14081    0.00732   -0.06054
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   51.3000      0.01668    -76.41759      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08253    1.89365   -1.06923       0.01135    0.00295    0.00621
  1.0     0.21617    3.60816   -0.36607      -0.04367   -0.05131   -0.03889
  1.0     1.64616    1.34356   -0.57248      -0.13643    0.00449   -0.05964
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   51.4000      0.01594    -76.41686      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08365    1.89396   -1.06861       0.01109    0.00321    0.00619
  1.0     0.21174    3.60298   -0.37001      -0.04491   -0.05221   -0.03979
  1.0     1.63278    1.34385   -0.57839      -0.13113    0.00132   -0.05844
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   51.5000      0.01507    -76.41599      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08474    1.89429   -1.06799       0.01078    0.00347    0.00614
  1.0     0.20719    3.59773   -0.37403      -0.04613   -0.05285   -0.04057
  1.0     1.61997    1.34381   -0.58416      -0.12490   -0.00219   -0.05696
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   51.6000      0.01410    -76.41501      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08580    1.89465   -1.06738       0.01040    0.00373    0.00607
  1.0     0.20252    3.59242   -0.37812      -0.04730   -0.05320   -0.04123
  1.0     1.60783    1.34341   -0.58977      -0.11774   -0.00605   -0.05519
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   51.7000      0.01305    -76.41396      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08682    1.89504   -1.06678       0.00996    0.00400    0.00598
  1.0     0.19773    3.58710   -0.38227      -0.04844   -0.05326   -0.04176
  1.0     1.59645    1.34259   -0.59519      -0.10967   -0.01026   -0.05313
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   51.8000      0.01196    -76.41287      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08779    1.89545   -1.06618       0.00947    0.00427    0.00586
  1.0     0.19283    3.58178   -0.38647      -0.04954   -0.05302   -0.04216
  1.0     1.58592    1.34134   -0.60039      -0.10072   -0.01480   -0.05081
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   51.9000      0.01086    -76.41177      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08871    1.89589   -1.06561       0.00892    0.00454    0.00571
  1.0     0.18782    3.57651   -0.39070      -0.05059   -0.05247   -0.04243
  1.0     1.57633    1.33962   -0.60534      -0.09095   -0.01966   -0.04824
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   52.0000      0.00980    -76.41072      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08958    1.89636   -1.06504       0.00832    0.00482    0.00555
  1.0     0.18271    3.57130   -0.39495      -0.05160   -0.05160   -0.04256
  1.0     1.56776    1.33740   -0.61003      -0.08042   -0.02482   -0.04544
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   52.1000      0.00883    -76.40974      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09038    1.89685   -1.06450       0.00767    0.00508    0.00536
  1.0     0.17750    3.56620   -0.39921      -0.05257   -0.05042   -0.04255
  1.0     1.56027    1.33465   -0.61443      -0.06922   -0.03025   -0.04244
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   52.2000      0.00797    -76.40888      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09111    1.89738   -1.06397       0.00699    0.00534    0.00515
  1.0     0.17220    3.56123   -0.40345      -0.05348   -0.04891   -0.04240
  1.0     1.55393    1.33134   -0.61851      -0.05745   -0.03590   -0.03927
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   52.3000      0.00727    -76.40818      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09177    1.89792   -1.06347       0.00627    0.00560    0.00492
  1.0     0.16681    3.55643   -0.40768      -0.05435   -0.04708   -0.04210
  1.0     1.54880    1.32746   -0.62228      -0.04522   -0.04175   -0.03596
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   52.4000      0.00676    -76.40767      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09236    1.89849   -1.06299       0.00553    0.00584    0.00468
  1.0     0.16133    3.55182   -0.41187      -0.05516   -0.04492   -0.04166
  1.0     1.54490    1.32299   -0.62570      -0.03265   -0.04773   -0.03256
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   52.5000      0.00645    -76.40737      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09288    1.89909   -1.06253       0.00478    0.00606    0.00442
  1.0     0.15578    3.54745   -0.41601      -0.05592   -0.04244   -0.04107
  1.0     1.54227    1.31791   -0.62879      -0.01989   -0.05379   -0.02910
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   52.6000      0.00637    -76.40728      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09332    1.89971   -1.06210       0.00401    0.00627    0.00416
  1.0     0.15015    3.54334   -0.42008      -0.05663   -0.03965   -0.04034
  1.0     1.54092    1.31223   -0.63152      -0.00707   -0.05988   -0.02562
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   52.7000      0.00651    -76.40742      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09368    1.90034   -1.06170       0.00325    0.00646    0.00388
  1.0     0.14446    3.53953   -0.42407      -0.05728   -0.03656   -0.03947
  1.0     1.54085    1.30594   -0.63391       0.00566   -0.06594   -0.02216
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   52.8000      0.00687    -76.40778      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09397    1.90100   -1.06133       0.00250    0.00662    0.00361
  1.0     0.13870    3.53604   -0.42797      -0.05787   -0.03317   -0.03847
  1.0     1.54205    1.29905   -0.63596       0.01817   -0.07189   -0.01877
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   52.9000      0.00743    -76.40834      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09418    1.90167   -1.06098       0.00177    0.00675    0.00333
  1.0     0.13288    3.53291   -0.43176      -0.05841   -0.02950   -0.03733
  1.0     1.54448    1.29157   -0.63767       0.03033   -0.07768   -0.01547
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   53.0000      0.00816    -76.40907      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09432    1.90235   -1.06066       0.00106    0.00686    0.00305
  1.0     0.12702    3.53015   -0.43543      -0.05889   -0.02557   -0.03607
  1.0     1.54810    1.28352   -0.63906       0.04201   -0.08326   -0.01231
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   53.1000      0.00904    -76.40995      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09440    1.90304   -1.06037       0.00039    0.00693    0.00277
  1.0     0.12111    3.52780   -0.43897      -0.05931   -0.02140   -0.03470
  1.0     1.55286    1.27492   -0.64014       0.05310   -0.08856   -0.00932
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   53.2000      0.01002    -76.41093      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09440    1.90373   -1.06011      -0.00024    0.00697    0.00250
  1.0     0.11516    3.52588   -0.44237      -0.05966   -0.01701   -0.03321
  1.0     1.55870    1.26582   -0.64092       0.06350   -0.09353   -0.00650
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   53.3000      0.01108    -76.41199      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09435    1.90443   -1.05987      -0.00083    0.00697    0.00224
  1.0     0.10918    3.52441   -0.44561      -0.05996   -0.01242   -0.03163
  1.0     1.56553    1.25623   -0.64144       0.07313   -0.09814   -0.00390
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   53.4000      0.01216    -76.41307      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09424    1.90512   -1.05966      -0.00137    0.00693    0.00198
  1.0     0.10317    3.52340   -0.44869      -0.06020   -0.00767   -0.02995
  1.0     1.57329    1.24620   -0.64171       0.08193   -0.10234   -0.00152
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   53.5000      0.01324    -76.41415      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09408    1.90581   -1.05947      -0.00186    0.00686    0.00174
  1.0     0.09714    3.52288   -0.45160      -0.06038   -0.00279   -0.02820
  1.0     1.58189    1.23578   -0.64175       0.08986   -0.10611    0.00063
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   53.6000      0.01428    -76.41519      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09387    1.90649   -1.05931      -0.00229    0.00676    0.00150
  1.0     0.09109    3.52285   -0.45433      -0.06050    0.00219   -0.02639
  1.0     1.59124    1.22500   -0.64159       0.09688   -0.10941    0.00255
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   53.7000      0.01525    -76.41616      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09362    1.90716   -1.05917      -0.00267    0.00662    0.00128
  1.0     0.08504    3.52332   -0.45687      -0.06055    0.00724   -0.02452
  1.0     1.60124    1.21391   -0.64125       0.10297   -0.11224    0.00423
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   53.8000      0.01613    -76.41704      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09334    1.90782   -1.05906      -0.00300    0.00644    0.00107
  1.0     0.07899    3.52429   -0.45923      -0.06054    0.01232   -0.02261
  1.0     1.61180    1.20257   -0.64075       0.10814   -0.11458    0.00568
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   53.9000      0.01689    -76.41780      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09302    1.90845   -1.05896      -0.00327    0.00624    0.00087
  1.0     0.07293    3.52578   -0.46140      -0.06047    0.01739   -0.02068
  1.0     1.62283    1.19101   -0.64012       0.11240   -0.11644    0.00690
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   54.0000      0.01753    -76.41844      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09268    1.90906   -1.05888      -0.00349    0.00601    0.00068
  1.0     0.06689    3.52777   -0.46337      -0.06034    0.02242   -0.01873
  1.0     1.63425    1.17929   -0.63938       0.11577   -0.11781    0.00790
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   54.1000      0.01803    -76.41894      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09233    1.90965   -1.05882      -0.00366    0.00575    0.00051
  1.0     0.06087    3.53026   -0.46514      -0.06014    0.02737   -0.01678
  1.0     1.64596    1.16747   -0.63855       0.11828   -0.11870    0.00869
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   54.2000      0.01839    -76.41930      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09195    1.91021   -1.05878      -0.00379    0.00548    0.00035
  1.0     0.05487    3.53324   -0.46672      -0.05988    0.03221   -0.01485
  1.0     1.65788    1.15557   -0.63765       0.11996   -0.11913    0.00929
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   54.3000      0.01861    -76.41952      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09157    1.91075   -1.05875      -0.00386    0.00518    0.00021
  1.0     0.04889    3.53670   -0.46811      -0.05956    0.03689   -0.01295
  1.0     1.66992    1.14366   -0.63670       0.12085   -0.11910    0.00969
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   54.4000      0.01869    -76.41960      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09118    1.91125   -1.05874      -0.00390    0.00487    0.00007
  1.0     0.04296    3.54061   -0.46931      -0.05917    0.04139   -0.01109
  1.0     1.68202    1.13176   -0.63572       0.12099   -0.11864    0.00993
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   54.5000      0.01863    -76.41954      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09079    1.91172   -1.05874      -0.00389    0.00454   -0.00005
  1.0     0.03706    3.54497   -0.47033      -0.05871    0.04568   -0.00927
  1.0     1.69410    1.11994   -0.63472       0.12043   -0.11776    0.01001
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   54.6000      0.01844    -76.41936      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09041    1.91216   -1.05875      -0.00385    0.00421   -0.00015
  1.0     0.03122    3.54974   -0.47117      -0.05819    0.04973   -0.00752
  1.0     1.70609    1.10822   -0.63372       0.11922   -0.11649    0.00994
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   54.7000      0.01814    -76.41905      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09002    1.91256   -1.05877      -0.00377    0.00386   -0.00025
  1.0     0.02543    3.55491   -0.47184      -0.05761    0.05351   -0.00584
  1.0     1.71792    1.09665   -0.63273       0.11740   -0.11485    0.00974
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   54.8000      0.01772    -76.41864      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08965    1.91293   -1.05880      -0.00366    0.00352   -0.00033
  1.0     0.01970    3.56043   -0.47234      -0.05695    0.05700   -0.00424
  1.0     1.72955    1.08527   -0.63178       0.11503   -0.11285    0.00942
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   54.9000      0.01721    -76.41812      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08929    1.91326   -1.05883      -0.00352    0.00317   -0.00040
  1.0     0.01404    3.56630   -0.47269      -0.05623    0.06018   -0.00272
  1.0     1.74091    1.07410   -0.63085       0.11214   -0.11053    0.00899
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   55.0000      0.01661    -76.41752      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08895    1.91356   -1.05887      -0.00336    0.00283   -0.00045
  1.0     0.00845    3.57246   -0.47289      -0.05545    0.06303   -0.00130
  1.0     1.75196    1.06317   -0.62998       0.10877   -0.10789    0.00847
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   55.1000      0.01593    -76.41684      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08862    1.91383   -1.05892      -0.00318    0.00249   -0.00050
  1.0     0.00295    3.57889   -0.47295      -0.05459    0.06554    0.00003
  1.0     1.76265    1.05253   -0.62916       0.10499   -0.10498    0.00786
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   55.2000      0.01519    -76.41610      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08831    1.91406   -1.05897      -0.00297    0.00215   -0.00053
  1.0    -0.00246    3.58555   -0.47289      -0.05368    0.06769    0.00125
  1.0     1.77294    1.04219   -0.62841       0.10081   -0.10179    0.00718
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   55.3000      0.01439    -76.41530      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08803    1.91426   -1.05903      -0.00275    0.00182   -0.00055
  1.0    -0.00778    3.59242   -0.47270      -0.05269    0.06950    0.00237
  1.0     1.78280    1.03218   -0.62773       0.09628   -0.09837    0.00642
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   55.4000      0.01355    -76.41446      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08777    1.91443   -1.05908      -0.00251    0.00150   -0.00057
  1.0    -0.01300    3.59944   -0.47242      -0.05164    0.07093    0.00338
  1.0     1.79219    1.02252   -0.62713       0.09143   -0.09471    0.00561
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   55.5000      0.01268    -76.41359      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08753    1.91456   -1.05914      -0.00225    0.00119   -0.00057
  1.0    -0.01811    3.60659   -0.47203      -0.05052    0.07201    0.00428
  1.0     1.80108    1.01324   -0.62661       0.08629   -0.09085    0.00475
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   55.6000      0.01178    -76.41269      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08732    1.91466   -1.05920      -0.00199    0.00089   -0.00056
  1.0    -0.02310    3.61383   -0.47156      -0.04934    0.07272    0.00508
  1.0     1.80944    1.00436   -0.62618       0.08090   -0.08680    0.00385
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   55.7000      0.01088    -76.41179      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08713    1.91474   -1.05925      -0.00171    0.00060   -0.00055
  1.0    -0.02797    3.62112   -0.47102      -0.04810    0.07307    0.00577
  1.0     1.81725    0.99589   -0.62584       0.07528   -0.08257    0.00291
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   55.8000      0.00997    -76.41088      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08697    1.91478   -1.05931      -0.00143    0.00032   -0.00052
  1.0    -0.03272    3.62843   -0.47041      -0.04679    0.07306    0.00636
  1.0     1.82449    0.98785   -0.62560       0.06946   -0.07818    0.00194
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   55.9000      0.00907    -76.40998      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08684    1.91480   -1.05936      -0.00114    0.00006   -0.00049
  1.0    -0.03733    3.63572   -0.46975      -0.04542    0.07271    0.00684
  1.0     1.83114    0.98026   -0.62545       0.06347   -0.07365    0.00094
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   56.0000      0.00819    -76.40910      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08675    1.91480   -1.05940      -0.00084   -0.00019   -0.00045
  1.0    -0.04180    3.64296   -0.46905      -0.04400    0.07201    0.00722
  1.0     1.83718    0.97312   -0.62541       0.05731   -0.06899   -0.00008
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   56.1000      0.00733    -76.40824      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08668    1.91477   -1.05945      -0.00054   -0.00043   -0.00040
  1.0    -0.04613    3.65012   -0.46831      -0.04251    0.07099    0.00750
  1.0     1.84259    0.96646   -0.62547       0.05103   -0.06421   -0.00112
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   56.2000      0.00651    -76.40742      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08664    1.91471   -1.05948      -0.00023   -0.00065   -0.00035
  1.0    -0.05030    3.65715   -0.46755      -0.04098    0.06965    0.00769
  1.0     1.84738    0.96028   -0.62564       0.04462   -0.05933   -0.00217
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   56.3000      0.00573    -76.40665      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08663    1.91464   -1.05952       0.00008   -0.00086   -0.00029
  1.0    -0.05432    3.66404   -0.46678      -0.03938    0.06801    0.00779
  1.0     1.85151    0.95460   -0.62590       0.03812   -0.05436   -0.00322
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   56.4000      0.00501    -76.40592      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08665    1.91454   -1.05954       0.00039   -0.00106   -0.00022
  1.0    -0.05818    3.67074   -0.46600      -0.03774    0.06607    0.00780
  1.0     1.85500    0.94941   -0.62628       0.03155   -0.04930   -0.00428
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   56.5000      0.00434    -76.40525      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08671    1.91442   -1.05956       0.00070   -0.00124   -0.00015
  1.0    -0.06187    3.67724   -0.46522      -0.03605    0.06386    0.00774
  1.0     1.85782    0.94474   -0.62676       0.02490   -0.04417   -0.00535
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   56.6000      0.00373    -76.40464      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08680    1.91429   -1.05957       0.00101   -0.00141   -0.00007
  1.0    -0.06538    3.68350   -0.46445      -0.03431    0.06138    0.00759
  1.0     1.85998    0.94058   -0.62735       0.01821   -0.03898   -0.00641
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   56.7000      0.00320    -76.40411      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08691    1.91414   -1.05957       0.00133   -0.00157    0.00001
  1.0    -0.06873    3.68951   -0.46370      -0.03253    0.05865    0.00737
  1.0     1.86146    0.93695   -0.62804       0.01149   -0.03373   -0.00747
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   56.8000      0.00273    -76.40365      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08706    1.91398   -1.05957       0.00164   -0.00172    0.00009
  1.0    -0.07189    3.69523   -0.46298      -0.03070    0.05570    0.00708
  1.0     1.86227    0.93384   -0.62884       0.00474   -0.02845   -0.00852
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   56.9000      0.00235    -76.40327      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08724    1.91380   -1.05956       0.00194   -0.00185    0.00018
  1.0    -0.07487    3.70064   -0.46229      -0.02884    0.05252    0.00672
  1.0     1.86241    0.93126   -0.62975      -0.00202   -0.02313   -0.00956
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   57.0000      0.00206    -76.40297      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08745    1.91361   -1.05953       0.00225   -0.00198    0.00027
  1.0    -0.07766    3.70572   -0.46164      -0.02694    0.04914    0.00631
  1.0     1.86187    0.92921   -0.63075      -0.00877   -0.01778   -0.01059
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   57.1000      0.00185    -76.40276      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08769    1.91341   -1.05950       0.00255   -0.00209    0.00036
  1.0    -0.08025    3.71046   -0.46103      -0.02501    0.04557    0.00584
  1.0     1.86066    0.92770   -0.63186      -0.01550   -0.01243   -0.01161
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   57.2000      0.00173    -76.40264      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08796    1.91319   -1.05946       0.00285   -0.00219    0.00046
  1.0    -0.08266    3.71483   -0.46047      -0.02305    0.04183    0.00532
  1.0     1.85877    0.92673   -0.63308      -0.02220   -0.00706   -0.01261
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   57.3000      0.00170    -76.40262      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08826    1.91297   -1.05941       0.00315   -0.00228    0.00056
  1.0    -0.08486    3.71882   -0.45997      -0.02106    0.03794    0.00476
  1.0     1.85622    0.92629   -0.63439      -0.02886   -0.00170   -0.01360
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   57.4000      0.00177    -76.40268      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08859    1.91273   -1.05935       0.00343   -0.00237    0.00066
  1.0    -0.08687    3.72242   -0.45952      -0.01904    0.03390    0.00415
  1.0     1.85300    0.92639   -0.63579      -0.03546    0.00366   -0.01456
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   57.5000      0.00193    -76.40284      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08895    1.91249   -1.05928       0.00372   -0.00244    0.00076
  1.0    -0.08867    3.72560   -0.45914      -0.01700    0.02973    0.00350
  1.0     1.84913    0.92702   -0.63730      -0.04199    0.00899   -0.01550
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   57.6000      0.00218    -76.40310      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08933    1.91225   -1.05920       0.00399   -0.00250    0.00086
  1.0    -0.09027    3.72836   -0.45882      -0.01495    0.02545    0.00282
  1.0     1.84461    0.92818   -0.63889      -0.04844    0.01428   -0.01641
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   57.7000      0.00253    -76.40344      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08974    1.91199   -1.05911       0.00426   -0.00256    0.00096
  1.0    -0.09166    3.73068   -0.45857      -0.01288    0.02107    0.00211
  1.0     1.83944    0.92988   -0.64058      -0.05479    0.01954   -0.01729
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   57.8000      0.00296    -76.40387      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09018    1.91174   -1.05901       0.00452   -0.00261    0.00106
  1.0    -0.09284    3.73257   -0.45840      -0.01079    0.01660    0.00137
  1.0     1.83365    0.93209   -0.64235      -0.06102    0.02475   -0.01814
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   57.9000      0.00348    -76.40439      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09065    1.91147   -1.05890       0.00478   -0.00264    0.00116
  1.0    -0.09382    3.73400   -0.45830      -0.00869    0.01206    0.00061
  1.0     1.82724    0.93482   -0.64420      -0.06711    0.02989   -0.01895
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   58.0000      0.00408    -76.40499      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09114    1.91121   -1.05878       0.00502   -0.00267    0.00125
  1.0    -0.09458    3.73498   -0.45828      -0.00659    0.00747   -0.00016
  1.0     1.82023    0.93807   -0.64614      -0.07306    0.03496   -0.01973
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   58.1000      0.00475    -76.40566      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09165    1.91094   -1.05865       0.00525   -0.00270    0.00135
  1.0    -0.09514    3.73549   -0.45833      -0.00449    0.00284   -0.00096
  1.0     1.81264    0.94181   -0.64815      -0.07884    0.03994   -0.02046
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   58.2000      0.00549    -76.40640      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09219    1.91067   -1.05851       0.00547   -0.00271    0.00144
  1.0    -0.09548    3.73555   -0.45847      -0.00238   -0.00182   -0.00176
  1.0     1.80447    0.94605   -0.65023      -0.08442    0.04481   -0.02114
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   58.3000      0.00629    -76.40721      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09275    1.91040   -1.05836       0.00568   -0.00271    0.00153
  1.0    -0.09561    3.73513   -0.45869      -0.00027   -0.00650   -0.00256
  1.0     1.79576    0.95077   -0.65237      -0.08980    0.04958   -0.02177
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   58.4000      0.00714    -76.40806      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09332    1.91013   -1.05820       0.00587   -0.00271    0.00162
  1.0    -0.09553    3.73425   -0.45898       0.00182   -0.01117   -0.00337
  1.0     1.78652    0.95596   -0.65458      -0.09493    0.05420   -0.02234
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   58.5000      0.00804    -76.40895      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09392    1.90986   -1.05803       0.00604   -0.00270    0.00170
  1.0    -0.09525    3.73290   -0.45936       0.00391   -0.01583   -0.00418
  1.0     1.77678    0.96161   -0.65684      -0.09980    0.05868   -0.02285
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   58.6000      0.00895    -76.40987      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09453    1.90959   -1.05786       0.00620   -0.00268    0.00178
  1.0    -0.09475    3.73108   -0.45982       0.00599   -0.02046   -0.00498
  1.0     1.76657    0.96769   -0.65915      -0.10438    0.06300   -0.02330
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   58.7000      0.00989    -76.41080      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09516    1.90932   -1.05768       0.00634   -0.00265    0.00185
  1.0    -0.09405    3.72880   -0.46036       0.00805   -0.02505   -0.00578
  1.0     1.75592    0.97420   -0.66150      -0.10864    0.06713   -0.02366
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   58.8000      0.01082    -76.41174      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09580    1.90906   -1.05749       0.00646   -0.00261    0.00192
  1.0    -0.09314    3.72607   -0.46097       0.01009   -0.02957   -0.00655
  1.0     1.74485    0.98111   -0.66388      -0.11255    0.07106   -0.02395
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   58.9000      0.01174    -76.41266      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09645    1.90880   -1.05729       0.00655   -0.00257    0.00198
  1.0    -0.09203    3.72289   -0.46167       0.01211   -0.03402   -0.00731
  1.0     1.73342    0.98840   -0.66628      -0.11608    0.07476   -0.02414
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   59.0000      0.01263    -76.41355      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09711    1.90854   -1.05709       0.00662   -0.00251    0.00203
  1.0    -0.09072    3.71927   -0.46244       0.01410   -0.03837   -0.00805
  1.0     1.72165    0.99606   -0.66870      -0.11918    0.07821   -0.02424
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   59.1000      0.01348    -76.41439      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09777    1.90830   -1.05689       0.00666   -0.00244    0.00208
  1.0    -0.08921    3.71522   -0.46328       0.01607   -0.04262   -0.00876
  1.0     1.70960    1.00404   -0.67113      -0.12182    0.08140   -0.02424
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   59.2000      0.01425    -76.41516      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09844    1.90805   -1.05668       0.00668   -0.00237    0.00211
  1.0    -0.08751    3.71075   -0.46419       0.01799   -0.04674   -0.00944
  1.0     1.69731    1.01232   -0.67355      -0.12396    0.08428   -0.02412
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   59.3000      0.01495    -76.41586      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09911    1.90782   -1.05646       0.00666   -0.00228    0.00214
  1.0    -0.08561    3.70588   -0.46516       0.01989   -0.05073   -0.01008
  1.0     1.68482    1.02088   -0.67595      -0.12556    0.08686   -0.02387
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   59.4000      0.01554    -76.41645      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09977    1.90760   -1.05625       0.00661   -0.00218    0.00215
  1.0    -0.08353    3.70061   -0.46620       0.02174   -0.05455   -0.01069
  1.0     1.67221    1.02968   -0.67832      -0.12657    0.08908   -0.02349
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   59.5000      0.01601    -76.41693      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10043    1.90739   -1.05603       0.00652   -0.00206    0.00216
  1.0    -0.08127    3.69497   -0.46730       0.02354   -0.05819   -0.01124
  1.0     1.65953    1.03869   -0.68064      -0.12696    0.09094   -0.02297
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   59.6000      0.01636    -76.41727      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10107    1.90719   -1.05582       0.00639   -0.00194    0.00214
  1.0    -0.07883    3.68898   -0.46845       0.02530   -0.06163   -0.01174
  1.0     1.64684    1.04786   -0.68291      -0.12667    0.09239   -0.02229
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   59.7000      0.01656    -76.41747      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10170    1.90700   -1.05561       0.00622   -0.00180    0.00212
  1.0    -0.07621    3.68265   -0.46965       0.02701   -0.06486   -0.01219
  1.0     1.63422    1.05715   -0.68509      -0.12567    0.09343   -0.02145
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   59.8000      0.01660    -76.41751      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10231    1.90683   -1.05540       0.00600   -0.00165    0.00208
  1.0    -0.07343    3.67602   -0.47088       0.02866   -0.06786   -0.01257
  1.0     1.62174    1.06653   -0.68719      -0.12391    0.09403   -0.02044
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   59.9000      0.01647    -76.41739      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10290    1.90667   -1.05519       0.00574   -0.00148    0.00202
  1.0    -0.07048    3.66909   -0.47216       0.03025   -0.07060   -0.01288
  1.0     1.60947    1.07594   -0.68918      -0.12136    0.09416   -0.01924
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   60.0000      0.01619    -76.41710      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10346    1.90653   -1.05499       0.00543   -0.00131    0.00195
  1.0    -0.06738    3.66191   -0.47346       0.03178   -0.07306   -0.01311
  1.0     1.59749    1.08535   -0.69103      -0.11798    0.09381   -0.01785
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   60.1000      0.01573    -76.41664      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10399    1.90641   -1.05480       0.00507   -0.00112    0.00186
  1.0    -0.06413    3.65449   -0.47478       0.03324   -0.07523   -0.01327
  1.0     1.58590    1.09469   -0.69274      -0.11375    0.09297   -0.01627
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   60.2000      0.01512    -76.41603      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10447    1.90631   -1.05462       0.00466   -0.00092    0.00175
  1.0    -0.06073    3.64687   -0.47611       0.03464   -0.07708   -0.01333
  1.0     1.57477    1.10392   -0.69428      -0.10864    0.09162   -0.01448
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   60.3000      0.01436    -76.41528      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10492    1.90623   -1.05445       0.00420   -0.00070    0.00162
  1.0    -0.05720    3.63908   -0.47744       0.03596   -0.07860   -0.01331
  1.0     1.56420    1.11300   -0.69563      -0.10264    0.08975   -0.01248
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   60.4000      0.01348    -76.41439      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10531    1.90617   -1.05430       0.00369   -0.00048    0.00148
  1.0    -0.05354    3.63116   -0.47876       0.03721   -0.07975   -0.01318
  1.0     1.55427    1.12186   -0.69677      -0.09575    0.08738   -0.01027
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   60.5000      0.01250    -76.41341      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10565    1.90613   -1.05416       0.00312   -0.00025    0.00131
  1.0    -0.04976    3.62315   -0.48007       0.03839   -0.08054   -0.01294
  1.0     1.54508    1.13045   -0.69768      -0.08798    0.08450   -0.00786
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   60.6000      0.01145    -76.41236      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10593    1.90612   -1.05403       0.00251   -0.00001    0.00112
  1.0    -0.04587    3.61507   -0.48135       0.03949   -0.08093   -0.01260
  1.0     1.53670    1.13874   -0.69833      -0.07936    0.08113   -0.00524
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   60.7000      0.01036    -76.41127      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10615    1.90613   -1.05393       0.00185    0.00023    0.00092
  1.0    -0.04187    3.60697   -0.48259       0.04051   -0.08091   -0.01213
  1.0     1.52923    1.14666   -0.69872      -0.06992    0.07730   -0.00243
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   60.8000      0.00928    -76.41019      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10630    1.90616   -1.05385       0.00115    0.00047    0.00069
  1.0    -0.03777    3.59890   -0.48377       0.04145   -0.08047   -0.01154
  1.0     1.52275    1.15419   -0.69881      -0.05972    0.07305    0.00056
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   60.9000      0.00824    -76.40915      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10638    1.90622   -1.05379       0.00041    0.00070    0.00045
  1.0    -0.03358    3.59090   -0.48489       0.04232   -0.07959   -0.01082
  1.0     1.51731    1.16126   -0.69860      -0.04884    0.06840    0.00371
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   61.0000      0.00729    -76.40820      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10639    1.90630   -1.05376      -0.00036    0.00093    0.00019
  1.0    -0.02931    3.58300   -0.48593       0.04310   -0.07826   -0.00997
  1.0     1.51300    1.16786   -0.69806      -0.03736    0.06342    0.00701
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   61.1000      0.00646    -76.40738      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10631    1.90641   -1.05376      -0.00116    0.00115   -0.00009
  1.0    -0.02496    3.57526   -0.48688       0.04380   -0.07647   -0.00898
  1.0     1.50986    1.17394   -0.69719      -0.02538    0.05816    0.01042
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   61.2000      0.00579    -76.40671      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10615    1.90653   -1.05378      -0.00198    0.00136   -0.00038
  1.0    -0.02055    3.56772   -0.48772       0.04443   -0.07423   -0.00786
  1.0     1.50793    1.17948   -0.69598      -0.01302    0.05269    0.01393
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   61.3000      0.00531    -76.40622      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10591    1.90668   -1.05383      -0.00281    0.00154   -0.00069
  1.0    -0.01608    3.56043   -0.48845       0.04499   -0.07151   -0.00659
  1.0     1.50726    1.18447   -0.69441      -0.00040    0.04706    0.01749
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   61.4000      0.00502    -76.40593      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10559    1.90684   -1.05392      -0.00364    0.00170   -0.00100
  1.0    -0.01156    3.55343   -0.48904       0.04547   -0.06834   -0.00519
  1.0     1.50786    1.18889   -0.69248       0.01234    0.04136    0.02108
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   61.5000      0.00495    -76.40586      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10518    1.90702   -1.05403      -0.00447    0.00183   -0.00132
  1.0    -0.00699    3.54678   -0.48948       0.04589   -0.06472   -0.00364
  1.0     1.50973    1.19274   -0.69019       0.02507    0.03564    0.02467
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   61.6000      0.00510    -76.40601      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10470    1.90721   -1.05418      -0.00529    0.00193   -0.00165
  1.0    -0.00238    3.54050   -0.48976       0.04624   -0.06066   -0.00196
  1.0     1.51287    1.19602   -0.68755       0.03765    0.02999    0.02821
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   61.7000      0.00544    -76.40636      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10413    1.90740   -1.05437      -0.00608    0.00200   -0.00199
  1.0     0.00226    3.53466   -0.48987       0.04653   -0.05617   -0.00014
  1.0     1.51725    1.19874   -0.68455       0.04995    0.02447    0.03167
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   61.8000      0.00598    -76.40690      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10348    1.90761   -1.05458      -0.00684    0.00203   -0.00232
  1.0     0.00692    3.52928   -0.48978       0.04677   -0.05129    0.00180
  1.0     1.52284    1.20092   -0.68121       0.06186    0.01914    0.03503
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   61.9000      0.00669    -76.40760      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10276    1.90781   -1.05483      -0.00757    0.00201   -0.00265
  1.0     0.01161    3.52441   -0.48950       0.04696   -0.04603    0.00386
  1.0     1.52960    1.20258   -0.67755       0.07324    0.01406    0.03824
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   62.0000      0.00754    -76.40845      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10197    1.90801   -1.05511      -0.00826    0.00196   -0.00298
  1.0     0.01631    3.52009   -0.48901       0.04712   -0.04044    0.00602
  1.0     1.53747    1.20374   -0.67357       0.08401    0.00927    0.04129
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   62.1000      0.00849    -76.40941      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10111    1.90820   -1.05543      -0.00890    0.00187   -0.00330
  1.0     0.02103    3.51634   -0.48830       0.04723   -0.03454    0.00829
  1.0     1.54638    1.20444   -0.66930       0.09407    0.00483    0.04415
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   62.2000      0.00952    -76.41044      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10019    1.90838   -1.05577      -0.00949    0.00174   -0.00362
  1.0     0.02576    3.51319   -0.48735       0.04732   -0.02838    0.01064
  1.0     1.55626    1.20472   -0.66475       0.10336    0.00075    0.04680
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   62.3000      0.01059    -76.41151      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09921    1.90855   -1.05615      -0.01003    0.00157   -0.00392
  1.0     0.03050    3.51067   -0.48617       0.04739   -0.02202    0.01305
  1.0     1.56703    1.20461   -0.65995       0.11181   -0.00294    0.04921
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   62.4000      0.01168    -76.41259      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09819    1.90869   -1.05656      -0.01051    0.00137   -0.00422
  1.0     0.03524    3.50879   -0.48474       0.04743   -0.01549    0.01552
  1.0     1.57859    1.20415   -0.65491       0.11938   -0.00621    0.05139
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   62.5000      0.01274    -76.41365      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09711    1.90882   -1.05699      -0.01093    0.00113   -0.00450
  1.0     0.03998    3.50757   -0.48306       0.04747   -0.00885    0.01803
  1.0     1.59087    1.20338   -0.64968       0.12605   -0.00907    0.05332
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   62.6000      0.01376    -76.41468      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09600    1.90892   -1.05745      -0.01130    0.00086   -0.00476
  1.0     0.04473    3.50702   -0.48113       0.04749   -0.00215    0.02055
  1.0     1.60377    1.20235   -0.64426       0.13180   -0.01151    0.05499
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   62.7000      0.01472    -76.41563      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09485    1.90899   -1.05794      -0.01160    0.00057   -0.00501
  1.0     0.04948    3.50714   -0.47895       0.04752    0.00454    0.02307
  1.0     1.61720    1.20109   -0.63869       0.13665   -0.01353    0.05641
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   62.8000      0.01560    -76.41651      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09368    1.90903   -1.05846      -0.01185    0.00025   -0.00524
  1.0     0.05423    3.50793   -0.47652       0.04754    0.01118    0.02557
  1.0     1.63107    1.19965   -0.63299       0.14060   -0.01516    0.05758
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   62.9000      0.01638    -76.41729      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09249    1.90904   -1.05899      -0.01205   -0.00008   -0.00545
  1.0     0.05899    3.50937   -0.47384       0.04756    0.01770    0.02803
  1.0     1.64529    1.19807   -0.62718       0.14368   -0.01639    0.05850
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   63.0000      0.01705    -76.41796      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09127    1.90901   -1.05955      -0.01219   -0.00043   -0.00565
  1.0     0.06375    3.51146   -0.47091       0.04759    0.02406    0.03043
  1.0     1.65978    1.19639   -0.62129       0.14590   -0.01725    0.05918
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   63.1000      0.01761    -76.41852      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09005    1.90895   -1.06012      -0.01228   -0.00078   -0.00582
  1.0     0.06851    3.51418   -0.46776       0.04763    0.03020    0.03275
  1.0     1.67444    1.19463   -0.61535       0.14731   -0.01776    0.05962
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   63.2000      0.01805    -76.41896      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08882    1.90886   -1.06071      -0.01233   -0.00114   -0.00597
  1.0     0.07327    3.51750   -0.46437       0.04767    0.03609    0.03497
  1.0     1.68921    1.19285   -0.60938       0.14795   -0.01794    0.05984
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   63.3000      0.01837    -76.41928      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08759    1.90873   -1.06131      -0.01232   -0.00150   -0.00611
  1.0     0.07804    3.52139   -0.46077       0.04771    0.04166    0.03708
  1.0     1.70401    1.19106   -0.60339       0.14785   -0.01781    0.05985
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   63.4000      0.01857    -76.41948      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08636    1.90856   -1.06193      -0.01227   -0.00186   -0.00622
  1.0     0.08281    3.52582   -0.45696       0.04776    0.04690    0.03907
  1.0     1.71876    1.18929   -0.59741       0.14705   -0.01739    0.05965
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   63.5000      0.01865    -76.41956      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08513    1.90835   -1.06256      -0.01219   -0.00221   -0.00631
  1.0     0.08759    3.53075   -0.45296       0.04781    0.05176    0.04091
  1.0     1.73340    1.18759   -0.59147       0.14561   -0.01671    0.05926
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   63.6000      0.01861    -76.41952      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08392    1.90812   -1.06319      -0.01206   -0.00255   -0.00638
  1.0     0.09237    3.53616   -0.44878       0.04786    0.05622    0.04261
  1.0     1.74786    1.18596   -0.58557       0.14357   -0.01578    0.05868
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   63.7000      0.01846    -76.41938      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08272    1.90784   -1.06383      -0.01190   -0.00287   -0.00643
  1.0     0.09716    3.54198   -0.44444       0.04790    0.06025    0.04414
  1.0     1.76209    1.18444   -0.57973       0.14097   -0.01464    0.05794
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   63.8000      0.01821    -76.41912      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08154    1.90754   -1.06448      -0.01171   -0.00318   -0.00646
  1.0     0.10196    3.54819   -0.43996       0.04794    0.06384    0.04550
  1.0     1.77604    1.18304   -0.57398       0.13785   -0.01330    0.05704
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   63.9000      0.01785    -76.41876      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08038    1.90721   -1.06512      -0.01148   -0.00348   -0.00647
  1.0     0.10675    3.55474   -0.43535       0.04797    0.06697    0.04669
  1.0     1.78965    1.18178   -0.56833       0.13426   -0.01178    0.05599
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   64.0000      0.01740    -76.41832      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07924    1.90685   -1.06577      -0.01123   -0.00375   -0.00646
  1.0     0.11155    3.56157   -0.43062       0.04799    0.06964    0.04770
  1.0     1.80288    1.18069   -0.56279       0.13023   -0.01011    0.05481
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   64.1000      0.01687    -76.41778      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07814    1.90646   -1.06642      -0.01095   -0.00400   -0.00643
  1.0     0.11635    3.56865   -0.42581       0.04800    0.07184    0.04853
  1.0     1.81568    1.17977   -0.55737       0.12581   -0.00829    0.05350
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   64.2000      0.01626    -76.41718      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07706    1.90605   -1.06706      -0.01065   -0.00424   -0.00638
  1.0     0.12115    3.57592   -0.42092       0.04798    0.07358    0.04917
  1.0     1.82803    1.17903   -0.55209       0.12102   -0.00635    0.05207
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   64.3000      0.01559    -76.41650      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07601    1.90561   -1.06769      -0.01032   -0.00445   -0.00631
  1.0     0.12595    3.58335   -0.41598       0.04794    0.07485    0.04963
  1.0     1.83987    1.17850   -0.54696       0.11589   -0.00430    0.05054
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   64.4000      0.01486    -76.41577      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07499    1.90516   -1.06832      -0.00998   -0.00463   -0.00623
  1.0     0.13074    3.59088   -0.41100       0.04788    0.07567    0.04991
  1.0     1.85119    1.17818   -0.54199       0.11047   -0.00216    0.04890
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   64.5000      0.01408    -76.41499      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07401    1.90469   -1.06894      -0.00961   -0.00480   -0.00612
  1.0     0.13552    3.59847   -0.40601       0.04779    0.07604    0.05001
  1.0     1.86196    1.17807   -0.53718       0.10478    0.00007    0.04718
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   64.6000      0.01327    -76.41418      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07307    1.90420   -1.06954      -0.00923   -0.00494   -0.00600
  1.0     0.14029    3.60607   -0.40101       0.04767    0.07598    0.04994
  1.0     1.87214    1.17819   -0.53256       0.09884    0.00236    0.04537
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   64.7000      0.01243    -76.41334      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07217    1.90370   -1.07014      -0.00883   -0.00505   -0.00587
  1.0     0.14505    3.61365   -0.39602       0.04751    0.07551    0.04969
  1.0     1.88172    1.17854   -0.52811       0.09268    0.00471    0.04348
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   64.8000      0.01157    -76.41248      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07130    1.90319   -1.07072      -0.00842   -0.00515   -0.00572
  1.0     0.14980    3.62116   -0.39107       0.04732    0.07463    0.04927
  1.0     1.89067    1.17913   -0.52386       0.08633    0.00710    0.04152
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   64.9000      0.01071    -76.41162      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07048    1.90267   -1.07128      -0.00800   -0.00522   -0.00556
  1.0     0.15452    3.62856   -0.38617       0.04710    0.07337    0.04870
  1.0     1.89898    1.17997   -0.51981       0.07981    0.00953    0.03949
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   65.0000      0.00986    -76.41077      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06970    1.90215   -1.07183      -0.00756   -0.00528   -0.00538
  1.0     0.15921    3.63582   -0.38134       0.04683    0.07175    0.04797
  1.0     1.90663    1.18104   -0.51597       0.07313    0.01198    0.03741
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   65.1000      0.00902    -76.40993      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06897    1.90162   -1.07235      -0.00711   -0.00531   -0.00519
  1.0     0.16388    3.64290   -0.37659       0.04652    0.06979    0.04710
  1.0     1.91360    1.18236   -0.51233       0.06631    0.01446    0.03527
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   65.2000      0.00821    -76.40912      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06828    1.90108   -1.07286      -0.00665   -0.00532   -0.00499
  1.0     0.16852    3.64977   -0.37193       0.04618    0.06750    0.04608
  1.0     1.91989    1.18393   -0.50891       0.05939    0.01694    0.03309
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   65.3000      0.00743    -76.40834      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06764    1.90055   -1.07335      -0.00618   -0.00531   -0.00478
  1.0     0.17312    3.65639   -0.36737       0.04578    0.06491    0.04494
  1.0     1.92548    1.18575   -0.50572       0.05236    0.01943    0.03086
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   65.4000      0.00669    -76.40760      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06705    1.90002   -1.07382      -0.00571   -0.00529   -0.00455
  1.0     0.17767    3.66274   -0.36294       0.04535    0.06204    0.04366
  1.0     1.93036    1.18782   -0.50274       0.04524    0.02191    0.02859
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   65.5000      0.00600    -76.40692      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06650    1.89950   -1.07426      -0.00523   -0.00525   -0.00432
  1.0     0.18218    3.66879   -0.35864       0.04487    0.05891    0.04227
  1.0     1.93452    1.19013   -0.50000       0.03806    0.02439    0.02629
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   65.6000      0.00538    -76.40629      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06600    1.89897   -1.07468      -0.00474   -0.00519   -0.00408
  1.0     0.18665    3.67452   -0.35449       0.04435    0.05553    0.04077
  1.0     1.93797    1.19270   -0.49749       0.03082    0.02684    0.02395
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   65.7000      0.00481    -76.40573      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06555    1.89846   -1.07508      -0.00424   -0.00512   -0.00383
  1.0     0.19105    3.67989   -0.35049       0.04378    0.05193    0.03916
  1.0     1.94069    1.19550   -0.49521       0.02355    0.02928    0.02159
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   65.8000      0.00432    -76.40524      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06515    1.89795   -1.07545      -0.00374   -0.00503   -0.00357
  1.0     0.19540    3.68490   -0.34666       0.04316    0.04812    0.03746
  1.0     1.94267    1.19855   -0.49317       0.01624    0.03168    0.01921
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   65.9000      0.00391    -76.40482      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06480    1.89745   -1.07579      -0.00324   -0.00493   -0.00331
  1.0     0.19968    3.68951   -0.34301       0.04250    0.04413    0.03566
  1.0     1.94393    1.20184   -0.49137       0.00892    0.03405    0.01681
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   66.0000      0.00358    -76.40449      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06450    1.89697   -1.07611      -0.00273   -0.00481   -0.00304
  1.0     0.20390    3.69372   -0.33953       0.04180    0.03997    0.03379
  1.0     1.94446    1.20536   -0.48981       0.00160    0.03639    0.01439
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   66.1000      0.00333    -76.40424      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06426    1.89649   -1.07640      -0.00223   -0.00468   -0.00276
  1.0     0.20804    3.69750   -0.33625       0.04105    0.03566    0.03183
  1.0     1.94425    1.20911   -0.48849      -0.00571    0.03867    0.01196
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   66.2000      0.00317    -76.40408      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06406    1.89603   -1.07666      -0.00172   -0.00455   -0.00248
  1.0     0.21211    3.70084   -0.33317       0.04025    0.03122    0.02981
  1.0     1.94332    1.21309   -0.48742      -0.01300    0.04091    0.00952
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   66.3000      0.00309    -76.40401      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06391    1.89558   -1.07689      -0.00121   -0.00440   -0.00219
  1.0     0.21609    3.70374   -0.33029       0.03941    0.02667    0.02772
  1.0     1.94166    1.21729   -0.48659      -0.02025    0.04309    0.00707
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   66.4000      0.00311    -76.40403      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06382    1.89515   -1.07710      -0.00070   -0.00424   -0.00190
  1.0     0.21999    3.70617   -0.32763       0.03852    0.02201    0.02558
  1.0     1.93927    1.22171   -0.48600      -0.02745    0.04521    0.00463
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   66.5000      0.00322    -76.40414      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06377    1.89473   -1.07727      -0.00019   -0.00407   -0.00161
  1.0     0.22379    3.70814   -0.32518       0.03759    0.01728    0.02339
  1.0     1.93617    1.22633   -0.48566      -0.03458    0.04727    0.00219
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   66.6000      0.00342    -76.40434      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06378    1.89434   -1.07742       0.00032   -0.00389   -0.00132
  1.0     0.22751    3.70963   -0.32295       0.03662    0.01247    0.02115
  1.0     1.93236    1.23116   -0.48556      -0.04164    0.04925   -0.00024
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   66.7000      0.00371    -76.40463      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06384    1.89396   -1.07754       0.00082   -0.00370   -0.00102
  1.0     0.23112    3.71063   -0.32095       0.03560    0.00762    0.01887
  1.0     1.92784    1.23618   -0.48571      -0.04860    0.05115   -0.00266
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   66.8000      0.00409    -76.40500      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06394    1.89360   -1.07763       0.00132   -0.00351   -0.00072
  1.0     0.23462    3.71115   -0.31918       0.03454    0.00273    0.01656
  1.0     1.92264    1.24139   -0.48609      -0.05545    0.05297   -0.00506
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   66.9000      0.00455    -76.40546      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06410    1.89326   -1.07768       0.00181   -0.00331   -0.00043
  1.0     0.23802    3.71118   -0.31764       0.03343   -0.00218    0.01422
  1.0     1.91676    1.24677   -0.48672      -0.06217    0.05470   -0.00743
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   67.0000      0.00509    -76.40600      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06431    1.89294   -1.07771       0.00230   -0.00310   -0.00013
  1.0     0.24131    3.71071   -0.31633       0.03229   -0.00709    0.01186
  1.0     1.91021    1.25232   -0.48758      -0.06875    0.05632   -0.00978
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   67.1000      0.00570    -76.40661      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06456    1.89264   -1.07771       0.00278   -0.00289    0.00016
  1.0     0.24448    3.70976   -0.31527       0.03110   -0.01200    0.00948
  1.0     1.90302    1.25803   -0.48867      -0.07516    0.05784   -0.01210
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   67.2000      0.00637    -76.40728      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06486    1.89236   -1.07768       0.00325   -0.00267    0.00046
  1.0     0.24753    3.70832   -0.31444       0.02987   -0.01688    0.00710
  1.0     1.89519    1.26389   -0.49000      -0.08138    0.05925   -0.01437
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   67.3000      0.00710    -76.40801      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06521    1.89210   -1.07762       0.00371   -0.00245    0.00075
  1.0     0.25045    3.70638   -0.31385       0.02859   -0.02173    0.00471
  1.0     1.88675    1.26988   -0.49155      -0.08740    0.06053   -0.01660
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   67.4000      0.00788    -76.40879      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06560    1.89187   -1.07753       0.00415   -0.00222    0.00104
  1.0     0.25324    3.70397   -0.31350       0.02728   -0.02651    0.00232
  1.0     1.87771    1.27599   -0.49332      -0.09319    0.06169   -0.01877
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   67.5000      0.00870    -76.40961      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06604    1.89166   -1.07741       0.00459   -0.00198    0.00132
  1.0     0.25591    3.70108   -0.31338       0.02593   -0.03123   -0.00006
  1.0     1.86812    1.28221   -0.49530      -0.09872    0.06270   -0.02087
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   67.6000      0.00954    -76.41045      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06652    1.89147   -1.07726       0.00500   -0.00174    0.00160
  1.0     0.25843    3.69773   -0.31351       0.02454   -0.03587   -0.00242
  1.0     1.85798    1.28853   -0.49749      -0.10396    0.06356   -0.02291
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   67.7000      0.01040    -76.41131      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06704    1.89131   -1.07709       0.00541   -0.00150    0.00187
  1.0     0.26081    3.69391   -0.31387       0.02311   -0.04040   -0.00476
  1.0     1.84733    1.29492   -0.49988      -0.10890    0.06426   -0.02487
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   67.8000      0.01126    -76.41217      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06760    1.89117   -1.07689       0.00579   -0.00126    0.00213
  1.0     0.26305    3.68965   -0.31446       0.02164   -0.04482   -0.00708
  1.0     1.83621    1.30137   -0.50246      -0.11348    0.06479   -0.02673
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   67.9000      0.01210    -76.41301      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06820    1.89106   -1.07667       0.00615   -0.00101    0.00239
  1.0     0.26514    3.68495   -0.31528       0.02013   -0.04910   -0.00937
  1.0     1.82465    1.30787   -0.50522      -0.11770    0.06513   -0.02850
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   68.0000      0.01292    -76.41383      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06883    1.89097   -1.07641       0.00648   -0.00076    0.00263
  1.0     0.26707    3.67984   -0.31633       0.01859   -0.05324   -0.01161
  1.0     1.81269    1.31439   -0.50815      -0.12150    0.06528   -0.03015
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   68.1000      0.01369    -76.41460      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06949    1.89091   -1.07614       0.00680   -0.00051    0.00287
  1.0     0.26886    3.67431   -0.31760       0.01701   -0.05720   -0.01381
  1.0     1.80036    1.32092   -0.51125      -0.12486    0.06522   -0.03169
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   68.2000      0.01440    -76.41531      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07019    1.89087   -1.07584       0.00708   -0.00025    0.00309
  1.0     0.27048    3.66840   -0.31909       0.01540   -0.06099   -0.01595
  1.0     1.78773    1.32743   -0.51449      -0.12773    0.06494   -0.03308
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   68.3000      0.01503    -76.41594      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07091    1.89086   -1.07552       0.00733    0.00001    0.00330
  1.0     0.27193    3.66212   -0.32079       0.01376   -0.06457   -0.01803
  1.0     1.77484    1.33390   -0.51786      -0.13008    0.06443   -0.03433
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   68.4000      0.01556    -76.41648      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07165    1.89087   -1.07518       0.00755    0.00027    0.00350
  1.0     0.27323    3.65549   -0.32270       0.01209   -0.06793   -0.02005
  1.0     1.76173    1.34031   -0.52135      -0.13187    0.06367   -0.03542
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   68.5000      0.01599    -76.41690      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07241    1.89091   -1.07482       0.00773    0.00053    0.00367
  1.0     0.27435    3.64854   -0.32480       0.01038   -0.07105   -0.02198
  1.0     1.74848    1.34663   -0.52494      -0.13305    0.06264   -0.03634
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   68.6000      0.01629    -76.41720      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07319    1.89098   -1.07445       0.00787    0.00079    0.00384
  1.0     0.27530    3.64129   -0.32709       0.00865   -0.07391   -0.02384
  1.0     1.73515    1.35283   -0.52861      -0.13358    0.06134   -0.03707
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   68.7000      0.01646    -76.41737      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07399    1.89107   -1.07406       0.00797    0.00106    0.00398
  1.0     0.27608    3.63377   -0.32956       0.00689   -0.07650   -0.02560
  1.0     1.72179    1.35889   -0.53234      -0.13343    0.05975   -0.03759
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   68.8000      0.01647    -76.41739      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07479    1.89119   -1.07365       0.00803    0.00132    0.00411
  1.0     0.27668    3.62600   -0.33221       0.00511   -0.07879   -0.02726
  1.0     1.70848    1.36477   -0.53612      -0.13255    0.05786   -0.03791
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   68.9000      0.01633    -76.41725      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07559    1.89133   -1.07324       0.00804    0.00158    0.00421
  1.0     0.27710    3.61802   -0.33501       0.00331   -0.08076   -0.02881
  1.0     1.69530    1.37045   -0.53992      -0.13091    0.05566   -0.03800
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   69.0000      0.01603    -76.41695      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07639    1.89150   -1.07281       0.00800    0.00184    0.00429
  1.0     0.27734    3.60986   -0.33796       0.00149   -0.08240   -0.03024
  1.0     1.68233    1.37589   -0.54371      -0.12848    0.05314   -0.03785
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   69.1000      0.01557    -76.41649      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07719    1.89170   -1.07238       0.00791    0.00210    0.00435
  1.0     0.27740    3.60156   -0.34105      -0.00035   -0.08368   -0.03155
  1.0     1.66964    1.38106   -0.54748      -0.12523    0.05029   -0.03745
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   69.2000      0.01496    -76.41587      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07797    1.89192   -1.07194       0.00777    0.00236    0.00438
  1.0     0.27727    3.59314   -0.34427      -0.00220   -0.08459   -0.03272
  1.0     1.65731    1.38594   -0.55119      -0.12113    0.04710   -0.03681
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   69.3000      0.01419    -76.41511      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07874    1.89217   -1.07150       0.00758    0.00262    0.00439
  1.0     0.27696    3.58465   -0.34759      -0.00406   -0.08510   -0.03375
  1.0     1.64544    1.39047   -0.55483      -0.11618    0.04357   -0.03590
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   69.4000      0.01330    -76.41421      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07949    1.89245   -1.07107       0.00733    0.00287    0.00437
  1.0     0.27646    3.57613   -0.35101      -0.00593   -0.08521   -0.03463
  1.0     1.63410    1.39464   -0.55837      -0.11037    0.03970   -0.03474
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   69.5000      0.01229    -76.41321      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08021    1.89275   -1.07063       0.00702    0.00311    0.00433
  1.0     0.27577    3.56762   -0.35451      -0.00780   -0.08489   -0.03535
  1.0     1.62339    1.39840   -0.56177      -0.10369    0.03550   -0.03331
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   69.6000      0.01120    -76.41211      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08089    1.89307   -1.07020       0.00667    0.00335    0.00426
  1.0     0.27490    3.55917   -0.35808      -0.00966   -0.08413   -0.03590
  1.0     1.61339    1.40173   -0.56502      -0.09618    0.03097   -0.03163
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   69.7000      0.01006    -76.41097      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08154    1.89342   -1.06978       0.00626    0.00358    0.00416
  1.0     0.27384    3.55081   -0.36169      -0.01152   -0.08292   -0.03629
  1.0     1.60418    1.40459   -0.56809      -0.08786    0.02613   -0.02970
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   69.8000      0.00889    -76.40980      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08214    1.89379   -1.06937       0.00581    0.00380    0.00403
  1.0     0.27260    3.54260   -0.36533      -0.01337   -0.08124   -0.03649
  1.0     1.59585    1.40694   -0.57095      -0.07878    0.02098   -0.02755
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   69.9000      0.00774    -76.40865      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08270    1.89418   -1.06897       0.00530    0.00400    0.00389
  1.0     0.27117    3.53458   -0.36898      -0.01520   -0.07910   -0.03651
  1.0     1.58845    1.40877   -0.57359      -0.06899    0.01557   -0.02517
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   70.0000      0.00664    -76.40755      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08320    1.89459   -1.06859       0.00476    0.00419    0.00371
  1.0     0.26956    3.52680   -0.37262      -0.01701   -0.07648   -0.03634
  1.0     1.58207    1.41005   -0.57598      -0.05857    0.00990   -0.02261
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   70.1000      0.00564    -76.40655      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08365    1.89501   -1.06823       0.00418    0.00437    0.00352
  1.0     0.26776    3.51930   -0.37624      -0.01880   -0.07338   -0.03599
  1.0     1.57676    1.41075   -0.57811      -0.04760    0.00402   -0.01988
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   70.2000      0.00476    -76.40567      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08404    1.89546   -1.06789       0.00358    0.00453    0.00331
  1.0     0.26580    3.51214   -0.37981      -0.02056   -0.06980   -0.03544
  1.0     1.57256    1.41085   -0.57995      -0.03620   -0.00204   -0.01702
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   70.3000      0.00404    -76.40495      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08436    1.89592   -1.06757       0.00295    0.00466    0.00307
  1.0     0.26365    3.50536   -0.38332      -0.02229   -0.06576   -0.03470
  1.0     1.56953    1.41033   -0.58151      -0.02446   -0.00823   -0.01407
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   70.4000      0.00351    -76.40442      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08463    1.89639   -1.06728       0.00230    0.00477    0.00282
  1.0     0.26134    3.49901   -0.38675      -0.02398   -0.06125   -0.03377
  1.0     1.56768    1.40920   -0.58277      -0.01251   -0.01452   -0.01105
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   70.5000      0.00318    -76.40409      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08482    1.89687   -1.06701       0.00164    0.00486    0.00256
  1.0     0.25886    3.49312   -0.39007      -0.02563   -0.05630   -0.03265
  1.0     1.56703    1.40743   -0.58372      -0.00046   -0.02085   -0.00800
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   70.6000      0.00306    -76.40398      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08496    1.89736   -1.06676       0.00099    0.00492    0.00229
  1.0     0.25621    3.48776   -0.39327      -0.02723   -0.05093   -0.03136
  1.0     1.56759    1.40503   -0.58437       0.01154   -0.02718   -0.00497
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   70.7000      0.00316    -76.40408      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08502    1.89786   -1.06655       0.00034    0.00495    0.00201
  1.0     0.25341    3.48295   -0.39634      -0.02879   -0.04516   -0.02990
  1.0     1.56933    1.40200   -0.58471       0.02338   -0.03345   -0.00200
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   70.8000      0.00348    -76.40439      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08502    1.89835   -1.06636      -0.00029    0.00496    0.00173
  1.0     0.25046    3.47874   -0.39925      -0.03030   -0.03903   -0.02827
  1.0     1.57225    1.39834   -0.58477       0.03494   -0.03961    0.00089
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   70.9000      0.00399    -76.40490      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08496    1.89885   -1.06620      -0.00090    0.00493    0.00144
  1.0     0.24736    3.47516   -0.40199      -0.03175   -0.03256   -0.02650
  1.0     1.57631    1.39408   -0.58454       0.04610   -0.04563    0.00365
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   71.0000      0.00468    -76.40559      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08484    1.89934   -1.06607      -0.00149    0.00487    0.00116
  1.0     0.24411    3.47224   -0.40454      -0.03315   -0.02580   -0.02460
  1.0     1.58146    1.38922   -0.58404       0.05675   -0.05145    0.00626
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   71.1000      0.00553    -76.40644      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08467    1.89982   -1.06597      -0.00204    0.00478    0.00087
  1.0     0.24073    3.47000   -0.40690      -0.03449   -0.01880   -0.02258
  1.0     1.58764    1.38380   -0.58329       0.06681   -0.05704    0.00869
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   71.2000      0.00650    -76.40741      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08444    1.90029   -1.06590      -0.00255    0.00466    0.00060
  1.0     0.23721    3.46848   -0.40905      -0.03578   -0.01159   -0.02045
  1.0     1.59479    1.37782   -0.58231       0.07619   -0.06235    0.01092
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   71.3000      0.00757    -76.40848      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08416    1.90075   -1.06585      -0.00301    0.00451    0.00034
  1.0     0.23357    3.46769   -0.41099      -0.03701   -0.00424   -0.01825
  1.0     1.60285    1.37134   -0.58112       0.08482   -0.06735    0.01293
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   71.4000      0.00871    -76.40962      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08384    1.90119   -1.06583      -0.00343    0.00434    0.00008
  1.0     0.22981    3.46764   -0.41270      -0.03819    0.00319   -0.01599
  1.0     1.61173    1.36436   -0.57973       0.09266   -0.07202    0.01470
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   71.5000      0.00987    -76.41079      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08347    1.90162   -1.06584      -0.00380    0.00414   -0.00016
  1.0     0.22594    3.46833   -0.41419      -0.03930    0.01067   -0.01369
  1.0     1.62135    1.35694   -0.57819       0.09966   -0.07634    0.01623
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   71.6000      0.01105    -76.41196      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08308    1.90202   -1.06586      -0.00412    0.00392   -0.00039
  1.0     0.22195    3.46977   -0.41544      -0.04036    0.01812   -0.01137
  1.0     1.63163    1.34911   -0.57650       0.10581   -0.08028    0.01752
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   71.7000      0.01219    -76.41311      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08265    1.90240   -1.06591      -0.00439    0.00368   -0.00060
  1.0     0.21787    3.47195   -0.41646      -0.04137    0.02550   -0.00906
  1.0     1.64249    1.34090   -0.57469       0.11109   -0.08384    0.01856
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   71.8000      0.01329    -76.41420      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08220    1.90275   -1.06598      -0.00461    0.00342   -0.00079
  1.0     0.21368    3.47486   -0.41725      -0.04232    0.03273   -0.00677
  1.0     1.65382    1.33235   -0.57279       0.11550   -0.08701    0.01936
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   71.9000      0.01432    -76.41523      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08173    1.90308   -1.06607      -0.00478    0.00315   -0.00097
  1.0     0.20940    3.47849   -0.41782      -0.04322    0.03978   -0.00453
  1.0     1.66556    1.32351   -0.57083       0.11906   -0.08978    0.01992
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   72.0000      0.01526    -76.41617      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08125    1.90338   -1.06618      -0.00490    0.00287   -0.00113
  1.0     0.20504    3.48281   -0.41816      -0.04406    0.04659   -0.00236
  1.0     1.67761    1.31441   -0.56881       0.12179   -0.09216    0.02026
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   72.1000      0.01609    -76.41700      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08075    1.90366   -1.06630      -0.00497    0.00259   -0.00127
  1.0     0.20059    3.48780   -0.41829      -0.04486    0.05311   -0.00027
  1.0     1.68989    1.30509   -0.56678       0.12370   -0.09415    0.02037
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   72.2000      0.01681    -76.41772      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08026    1.90390   -1.06643      -0.00499    0.00230   -0.00139
  1.0     0.19607    3.49342   -0.41822      -0.04560    0.05929    0.00171
  1.0     1.70232    1.29559   -0.56475       0.12484   -0.09575    0.02028
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   72.3000      0.01740    -76.41831      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07976    1.90412   -1.06657      -0.00497    0.00201   -0.00149
  1.0     0.19148    3.49965   -0.41795      -0.04629    0.06511    0.00358
  1.0     1.71483    1.28596   -0.56273       0.12524   -0.09698    0.02000
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   72.4000      0.01786    -76.41878      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07926    1.90430   -1.06673      -0.00491    0.00172   -0.00157
  1.0     0.18681    3.50643   -0.41751      -0.04694    0.07051    0.00532
  1.0     1.72735    1.27621   -0.56075       0.12493   -0.09785    0.01954
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   72.5000      0.01819    -76.41910      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07877    1.90446   -1.06689      -0.00482    0.00144   -0.00163
  1.0     0.18209    3.51374   -0.41689      -0.04753    0.07548    0.00692
  1.0     1.73980    1.26640   -0.55883       0.12396   -0.09837    0.01890
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   72.6000      0.01839    -76.41930      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07830    1.90459   -1.06705      -0.00468    0.00117   -0.00167
  1.0     0.17731    3.52151   -0.41613      -0.04807    0.07999    0.00836
  1.0     1.75212    1.25655   -0.55698       0.12237   -0.09856    0.01812
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   72.7000      0.01845    -76.41936      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07784    1.90469   -1.06722      -0.00451    0.00091   -0.00169
  1.0     0.17248    3.52972   -0.41523      -0.04857    0.08403    0.00965
  1.0     1.76425    1.24670   -0.55521       0.12019   -0.09842    0.01719
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   72.8000      0.01838    -76.41929      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07740    1.90477   -1.06739      -0.00431    0.00066   -0.00170
  1.0     0.16760    3.53830   -0.41420      -0.04901    0.08757    0.01078
  1.0     1.77614    1.23687   -0.55354       0.11749   -0.09798    0.01614
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   72.9000      0.01819    -76.41910      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07698    1.90483   -1.06756      -0.00409    0.00042   -0.00168
  1.0     0.16268    3.54722   -0.41308      -0.04940    0.09061    0.01174
  1.0     1.78773    1.22711   -0.55199       0.11429   -0.09725    0.01497
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   73.0000      0.01789    -76.41880      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07658    1.90486   -1.06772      -0.00384    0.00020   -0.00165
  1.0     0.15772    3.55641   -0.41186      -0.04975    0.09314    0.01254
  1.0     1.79898    1.21743   -0.55055       0.11063   -0.09625    0.01370
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   73.1000      0.01747    -76.41838      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07621    1.90487   -1.06789      -0.00356   -0.00001   -0.00161
  1.0     0.15273    3.56583   -0.41057      -0.05004    0.09517    0.01317
  1.0     1.80984    1.20787   -0.54925       0.10656   -0.09500    0.01234
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   73.2000      0.01696    -76.41787      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07587    1.90485   -1.06804      -0.00327   -0.00020   -0.00155
  1.0     0.14771    3.57542   -0.40923      -0.05028    0.09670    0.01363
  1.0     1.82028    1.19844   -0.54809       0.10211   -0.09350    0.01090
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   73.3000      0.01636    -76.41728      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07556    1.90483   -1.06820      -0.00295   -0.00038   -0.00147
  1.0     0.14267    3.58515   -0.40785      -0.05048    0.09773    0.01394
  1.0     1.83025    1.18918   -0.54707       0.09730   -0.09177    0.00939
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   73.4000      0.01569    -76.41660      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07528    1.90478   -1.06834      -0.00262   -0.00053   -0.00138
  1.0     0.13762    3.59496   -0.40645      -0.05061    0.09829    0.01408
  1.0     1.83973    1.18009   -0.54621       0.09219   -0.08983    0.00781
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   73.5000      0.01495    -76.41586      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07504    1.90472   -1.06847      -0.00227   -0.00067   -0.00128
  1.0     0.13255    3.60479   -0.40504      -0.05070    0.09837    0.01407
  1.0     1.84868    1.17122   -0.54551       0.08679   -0.08769    0.00619
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   73.6000      0.01416    -76.41507      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07483    1.90465   -1.06859      -0.00192   -0.00080   -0.00116
  1.0     0.12748    3.61461   -0.40364      -0.05074    0.09799    0.01391
  1.0     1.85708    1.16256   -0.54498       0.08114   -0.08537    0.00451
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   73.7000      0.01333    -76.41425      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07465    1.90456   -1.06870      -0.00155   -0.00090   -0.00103
  1.0     0.12241    3.62437   -0.40226      -0.05072    0.09718    0.01362
  1.0     1.86490    1.15415   -0.54461       0.07526   -0.08287    0.00280
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   73.8000      0.01248    -76.41339      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07452    1.90447   -1.06880      -0.00117   -0.00099   -0.00090
  1.0     0.11734    3.63403   -0.40092      -0.05065    0.09594    0.01319
  1.0     1.87212    1.14599   -0.54442       0.06917   -0.08021    0.00106
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   73.9000      0.01160    -76.41252      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07442    1.90436   -1.06888      -0.00078   -0.00106   -0.00075
  1.0     0.11228    3.64355   -0.39963      -0.05052    0.09430    0.01263
  1.0     1.87873    1.13811   -0.54440       0.06290   -0.07740   -0.00070
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   74.0000      0.01073    -76.41164      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07436    1.90425   -1.06895      -0.00039   -0.00112   -0.00060
  1.0     0.10724    3.65288   -0.39840      -0.05034    0.09228    0.01195
  1.0     1.88470    1.13052   -0.54456       0.05648   -0.07445   -0.00249
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   74.1000      0.00986    -76.41077      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07434    1.90414   -1.06900       0.00001   -0.00117   -0.00043
  1.0     0.10221    3.66199   -0.39724      -0.05011    0.08990    0.01116
  1.0     1.89002    1.12323   -0.54490       0.04992   -0.07138   -0.00428
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   74.2000      0.00901    -76.40993      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07436    1.90402   -1.06904       0.00041   -0.00120   -0.00026
  1.0     0.09722    3.67085   -0.39617      -0.04983    0.08718    0.01027
  1.0     1.89468    1.11625   -0.54541       0.04325   -0.06818   -0.00609
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   74.3000      0.00820    -76.40911      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07443    1.90390   -1.06905       0.00082   -0.00121   -0.00009
  1.0     0.09225    3.67942   -0.39519      -0.04949    0.08414    0.00928
  1.0     1.89867    1.10959   -0.54611       0.03647   -0.06488   -0.00790
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   74.4000      0.00742    -76.40833      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07453    1.90378   -1.06905       0.00123   -0.00122    0.00010
  1.0     0.08732    3.68767   -0.39432      -0.04911    0.08080    0.00820
  1.0     1.90197    1.10327   -0.54700       0.02961   -0.06148   -0.00971
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   74.5000      0.00669    -76.40760      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07467    1.90366   -1.06903       0.00164   -0.00121    0.00028
  1.0     0.08243    3.69557   -0.39356      -0.04867    0.07718    0.00704
  1.0     1.90459    1.09730   -0.54806       0.02268   -0.05799   -0.01152
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   74.6000      0.00602    -76.40693      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07486    1.90354   -1.06900       0.00205   -0.00119    0.00047
  1.0     0.07759    3.70310   -0.39291      -0.04818    0.07330    0.00581
  1.0     1.90651    1.09168   -0.54930       0.01571   -0.05442   -0.01332
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   74.7000      0.00542    -76.40633      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07508    1.90342   -1.06894       0.00245   -0.00116    0.00067
  1.0     0.07280    3.71022   -0.39240      -0.04764    0.06918    0.00450
  1.0     1.90773    1.08642   -0.55072       0.00869   -0.05077   -0.01511
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   74.8000      0.00489    -76.40580      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07535    1.90331   -1.06886       0.00286   -0.00112    0.00087
  1.0     0.06806    3.71692   -0.39202      -0.04705    0.06485    0.00314
  1.0     1.90824    1.08153   -0.55232       0.00165   -0.04705   -0.01688
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   74.9000      0.00443    -76.40535      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07565    1.90320   -1.06877       0.00326   -0.00107    0.00107
  1.0     0.06339    3.72318   -0.39177      -0.04642    0.06031    0.00173
  1.0     1.90806    1.07701   -0.55410      -0.00540   -0.04328   -0.01864
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   75.0000      0.00406    -76.40498      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07600    1.90309   -1.06865       0.00367   -0.00102    0.00127
  1.0     0.05878    3.72898   -0.39167      -0.04573    0.05559    0.00026
  1.0     1.90716    1.07287   -0.55605      -0.01244   -0.03945   -0.02037
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   75.1000      0.00378    -76.40470      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07639    1.90299   -1.06851       0.00406   -0.00095    0.00147
  1.0     0.05424    3.73430   -0.39172      -0.04500    0.05071   -0.00124
  1.0     1.90557    1.06912   -0.55817      -0.01947   -0.03558   -0.02208
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   75.2000      0.00360    -76.40451      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07681    1.90290   -1.06836       0.00445   -0.00088    0.00167
  1.0     0.04978    3.73912   -0.39192      -0.04423    0.04567   -0.00278
  1.0     1.90327    1.06576   -0.56046      -0.02646   -0.03167   -0.02376
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   75.3000      0.00350    -76.40441      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07728    1.90282   -1.06818       0.00484   -0.00080    0.00188
  1.0     0.04540    3.74343   -0.39228      -0.04341    0.04051   -0.00435
  1.0     1.90028    1.06279   -0.56292      -0.03342   -0.02774   -0.02542
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   75.4000      0.00350    -76.40442      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07778    1.90274   -1.06798       0.00522   -0.00072    0.00208
  1.0     0.04110    3.74722   -0.39279      -0.04255    0.03523   -0.00594
  1.0     1.89659    1.06021   -0.56554      -0.04031   -0.02378   -0.02704
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   75.5000      0.00360    -76.40451      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07832    1.90267   -1.06776       0.00559   -0.00063    0.00228
  1.0     0.03689    3.75047   -0.39347      -0.04165    0.02985   -0.00755
  1.0     1.89222    1.05803   -0.56833      -0.04714   -0.01981   -0.02862
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   75.6000      0.00380    -76.40471      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07890    1.90261   -1.06753       0.00596   -0.00054    0.00248
  1.0     0.03277    3.75318   -0.39430      -0.04071    0.02439   -0.00918
  1.0     1.88717    1.05625   -0.57127      -0.05388   -0.01584   -0.03016
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   75.7000      0.00409    -76.40500      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07951    1.90256   -1.06727       0.00632   -0.00044    0.00268
  1.0     0.02875    3.75535   -0.39530      -0.03973    0.01886   -0.01081
  1.0     1.88145    1.05487   -0.57436      -0.06052   -0.01187   -0.03166
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   75.8000      0.00447    -76.40538      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08016    1.90253   -1.06699       0.00666   -0.00034    0.00287
  1.0     0.02482    3.75695   -0.39646      -0.03872    0.01327   -0.01245
  1.0     1.87507    1.05388   -0.57760      -0.06704   -0.00791   -0.03311
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   75.9000      0.00495    -76.40586      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08084    1.90250   -1.06669       0.00700   -0.00023    0.00306
  1.0     0.02100    3.75800   -0.39779      -0.03767    0.00765   -0.01408
  1.0     1.86804    1.05328   -0.58098      -0.07343   -0.00397   -0.03451
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   76.0000      0.00550    -76.40642      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08156    1.90248   -1.06638       0.00732   -0.00012    0.00325
  1.0     0.01729    3.75848   -0.39928      -0.03659    0.00201   -0.01571
  1.0     1.86039    1.05308   -0.58450      -0.07966   -0.00007   -0.03585
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   76.1000      0.00614    -76.40705      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08231    1.90247   -1.06604       0.00764   -0.00001    0.00343
  1.0     0.01369    3.75840   -0.40093      -0.03547   -0.00364   -0.01733
  1.0     1.85212    1.05327   -0.58815      -0.08573    0.00379   -0.03714
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   76.2000      0.00685    -76.40776      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08309    1.90248   -1.06569       0.00794    0.00011    0.00361
  1.0     0.01020    3.75775   -0.40275      -0.03433   -0.00929   -0.01893
  1.0     1.84325    1.05384   -0.59192      -0.09161    0.00759   -0.03835
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   76.3000      0.00763    -76.40854      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08390    1.90249   -1.06532       0.00822    0.00023    0.00378
  1.0     0.00682    3.75654   -0.40472      -0.03316   -0.01491   -0.02051
  1.0     1.83380    1.05478   -0.59582      -0.09727    0.01133   -0.03950
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   76.4000      0.00846    -76.40937      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08473    1.90252   -1.06494       0.00848    0.00035    0.00395
  1.0     0.00357    3.75477   -0.40685      -0.03196   -0.02049   -0.02207
  1.0     1.82380    1.05610   -0.59982      -0.10270    0.01498   -0.04057
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   76.5000      0.00933    -76.41025      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08559    1.90256   -1.06453       0.00873    0.00047    0.00411
  1.0     0.00043    3.75245   -0.40913      -0.03074   -0.02602   -0.02359
  1.0     1.81327    1.05778   -0.60393      -0.10787    0.01854   -0.04157
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   76.6000      0.01024    -76.41115      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08648    1.90262   -1.06411       0.00896    0.00060    0.00426
  1.0    -0.00258    3.74957   -0.41157      -0.02950   -0.03148   -0.02508
  1.0     1.80224    1.05980   -0.60813      -0.11275    0.02198   -0.04247
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   76.7000      0.01117    -76.41208      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08738    1.90268   -1.06368       0.00917    0.00073    0.00440
  1.0    -0.00547    3.74615   -0.41415      -0.02824   -0.03685   -0.02653
  1.0     1.79073    1.06217   -0.61242      -0.11731    0.02530   -0.04328
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   76.8000      0.01211    -76.41302      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08831    1.90276   -1.06324       0.00936    0.00086    0.00453
  1.0    -0.00823    3.74220   -0.41687      -0.02697   -0.04212   -0.02794
  1.0     1.77879    1.06486   -0.61678      -0.12153    0.02848   -0.04399
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   76.9000      0.01303    -76.41394      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08925    1.90286   -1.06278       0.00952    0.00099    0.00465
  1.0    -0.01086    3.73773   -0.41973      -0.02568   -0.04727   -0.02929
  1.0     1.76644    1.06786   -0.62121      -0.12538    0.03149   -0.04459
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   77.0000      0.01393    -76.41485      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09021    1.90296   -1.06230       0.00965    0.00113    0.00477
  1.0    -0.01337    3.73275   -0.42273      -0.02438   -0.05228   -0.03058
  1.0     1.75372    1.07115   -0.62570      -0.12881    0.03432   -0.04507
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   77.1000      0.01479    -76.41571      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09118    1.90308   -1.06182       0.00976    0.00127    0.00487
  1.0    -0.01574    3.72728   -0.42585      -0.02308   -0.05713   -0.03182
  1.0     1.74069    1.07472   -0.63022      -0.13180    0.03695   -0.04543
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   77.2000      0.01559    -76.41650      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09216    1.90322   -1.06133       0.00983    0.00141    0.00495
  1.0    -0.01798    3.72133   -0.42909      -0.02177   -0.06181   -0.03298
  1.0     1.72738    1.07853   -0.63478      -0.13431    0.03935   -0.04566
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   77.3000      0.01631    -76.41723      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09315    1.90337   -1.06083       0.00988    0.00156    0.00503
  1.0    -0.02009    3.71493   -0.43244      -0.02047   -0.06628   -0.03407
  1.0     1.71384    1.08258   -0.63935      -0.13629    0.04151   -0.04574
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   77.4000      0.01694    -76.41785      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09414    1.90353   -1.06033       0.00988    0.00171    0.00509
  1.0    -0.02208    3.70808   -0.43590      -0.01916   -0.07054   -0.03508
  1.0     1.70014    1.08683   -0.64392      -0.13772    0.04339   -0.04568
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   77.5000      0.01745    -76.41836      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09513    1.90371   -1.05981       0.00985    0.00186    0.00513
  1.0    -0.02393    3.70083   -0.43945      -0.01787   -0.07456   -0.03600
  1.0     1.68632    1.09125   -0.64848      -0.13854    0.04497   -0.04545
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   77.6000      0.01783    -76.41875      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09611    1.90390   -1.05930       0.00978    0.00202    0.00516
  1.0    -0.02565    3.69318   -0.44310      -0.01658   -0.07831   -0.03683
  1.0     1.67245    1.09581   -0.65301      -0.13871    0.04623   -0.04506
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   77.7000      0.01807    -76.41898      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09708    1.90411   -1.05878       0.00967    0.00218    0.00517
  1.0    -0.02724    3.68518   -0.44682      -0.01531   -0.08177   -0.03756
  1.0     1.65860    1.10048   -0.65749      -0.13821    0.04715   -0.04449
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   77.8000      0.01815    -76.41906      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09804    1.90434   -1.05827       0.00952    0.00235    0.00516
  1.0    -0.02871    3.67684   -0.45060      -0.01405   -0.08493   -0.03817
  1.0     1.64484    1.10523   -0.66190      -0.13698    0.04769   -0.04373
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   77.9000      0.01806    -76.41897      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09898    1.90458   -1.05775       0.00931    0.00251    0.00513
  1.0    -0.03005    3.66820   -0.45445      -0.01282   -0.08775   -0.03868
  1.0     1.63123    1.11001   -0.66622      -0.13499    0.04785   -0.04278
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   78.0000      0.01779    -76.41870      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09990    1.90484   -1.05724       0.00906    0.00269    0.00508
  1.0    -0.03127    3.65930   -0.45833      -0.01161   -0.09020   -0.03906
  1.0     1.61786    1.11478   -0.67045      -0.13222    0.04759   -0.04163
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   78.1000      0.01735    -76.41826      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10079    1.90512   -1.05674       0.00876    0.00286    0.00501
  1.0    -0.03238    3.65017   -0.46225      -0.01044   -0.09227   -0.03930
  1.0     1.60481    1.11951   -0.67454      -0.12863    0.04690   -0.04027
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   78.2000      0.01673    -76.41765      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10165    1.90541   -1.05624       0.00841    0.00303    0.00492
  1.0    -0.03336    3.64086   -0.46619      -0.00929   -0.09392   -0.03941
  1.0     1.59217    1.12415   -0.67849      -0.12420    0.04576   -0.03871
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   78.3000      0.01595    -76.41686      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10247    1.90573   -1.05575       0.00801    0.00321    0.00481
  1.0    -0.03424    3.63140   -0.47013      -0.00819   -0.09514   -0.03937
  1.0     1.58000    1.12865   -0.68228      -0.11892    0.04416   -0.03693
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   78.4000      0.01501    -76.41592      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10325    1.90606   -1.05528       0.00756    0.00339    0.00467
  1.0    -0.03500    3.62185   -0.47406      -0.00713   -0.09589   -0.03917
  1.0     1.56841    1.13296   -0.68587      -0.11279    0.04210   -0.03494
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   78.5000      0.01394    -76.41485      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10398    1.90640   -1.05482       0.00705    0.00356    0.00451
  1.0    -0.03566    3.61224   -0.47796      -0.00611   -0.09615   -0.03881
  1.0     1.55747    1.13705   -0.68926      -0.10580    0.03958   -0.03275
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   78.6000      0.01276    -76.41367      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10466    1.90677   -1.05438       0.00650    0.00374    0.00432
  1.0    -0.03623    3.60263   -0.48182      -0.00515   -0.09590   -0.03828
  1.0     1.54728    1.14086   -0.69241      -0.09799    0.03659   -0.03035
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   78.7000      0.01150    -76.41241      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10528    1.90715   -1.05396       0.00590    0.00390    0.00412
  1.0    -0.03670    3.59308   -0.48561      -0.00423   -0.09512   -0.03758
  1.0     1.53790    1.14436   -0.69532      -0.08937    0.03316   -0.02776
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   78.8000      0.01020    -76.41111      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10584    1.90755   -1.05355       0.00525    0.00406    0.00389
  1.0    -0.03708    3.58363   -0.48933      -0.00337   -0.09379   -0.03669
  1.0     1.52943    1.14748   -0.69796      -0.08000    0.02931   -0.02498
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   78.9000      0.00889    -76.40981      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10633    1.90796   -1.05318       0.00457    0.00421    0.00363
  1.0    -0.03737    3.57434   -0.49294      -0.00257   -0.09190   -0.03562
  1.0     1.52193    1.15021   -0.70031      -0.06994    0.02507   -0.02205
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   79.0000      0.00762    -76.40854      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10675    1.90839   -1.05283       0.00385    0.00434    0.00336
  1.0    -0.03759    3.56527   -0.49644      -0.00182   -0.08942   -0.03436
  1.0     1.51546    1.15249   -0.70236      -0.05926    0.02048   -0.01896
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   79.1000      0.00643    -76.40734      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10710    1.90883   -1.05251       0.00310    0.00446    0.00307
  1.0    -0.03774    3.55647   -0.49981      -0.00114   -0.08636   -0.03290
  1.0     1.51009    1.15429   -0.70410      -0.04805    0.01558   -0.01576
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   79.2000      0.00534    -76.40626      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10737    1.90928   -1.05222       0.00233    0.00455    0.00275
  1.0    -0.03782    3.54802   -0.50302      -0.00051   -0.08271   -0.03125
  1.0     1.50586    1.15559   -0.70551      -0.03641    0.01042   -0.01245
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   79.3000      0.00441    -76.40532      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10756    1.90974   -1.05196       0.00154    0.00462    0.00242
  1.0    -0.03784    3.53995   -0.50605       0.00006   -0.07847   -0.02941
  1.0     1.50282    1.15637   -0.70659      -0.02446    0.00508   -0.00908
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   79.4000      0.00364    -76.40456      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10768    1.91021   -1.05173       0.00074    0.00467    0.00208
  1.0    -0.03781    3.53234   -0.50889       0.00057   -0.07366   -0.02737
  1.0     1.50098    1.15660   -0.70733      -0.01230   -0.00039   -0.00566
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   79.5000      0.00308    -76.40399      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10771    1.91067   -1.05154      -0.00006    0.00468    0.00172
  1.0    -0.03773    3.52524   -0.51152       0.00102   -0.06827   -0.02515
  1.0     1.50036    1.15629   -0.70772      -0.00007   -0.00592   -0.00223
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   79.6000      0.00272    -76.40364      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10767    1.91114   -1.05139      -0.00085    0.00465    0.00136
  1.0    -0.03761    3.51870   -0.51392       0.00143   -0.06235   -0.02274
  1.0     1.50097    1.15542   -0.70777       0.01211   -0.01144    0.00119
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   79.7000      0.00259    -76.40350      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10754    1.91160   -1.05127      -0.00163    0.00459    0.00098
  1.0    -0.03745    3.51279   -0.51606       0.00178   -0.05591   -0.02017
  1.0     1.50278    1.15400   -0.70748       0.02412   -0.01687    0.00455
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   79.8000      0.00267    -76.40358      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10734    1.91206   -1.05119      -0.00239    0.00448    0.00060
  1.0    -0.03725    3.50754   -0.51794       0.00210   -0.04900   -0.01743
  1.0     1.50578    1.15205   -0.70686       0.03584   -0.02216    0.00784
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   79.9000      0.00295    -76.40387      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10706    1.91250   -1.05115      -0.00312    0.00434    0.00022
  1.0    -0.03703    3.50300   -0.51954       0.00238   -0.04166   -0.01455
  1.0     1.50993    1.14958   -0.70592       0.04715   -0.02723    0.01103
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   80.0000      0.00343    -76.40434      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10672    1.91292   -1.05115      -0.00382    0.00416   -0.00016
  1.0    -0.03678    3.49922   -0.52085       0.00263   -0.03393   -0.01154
  1.0     1.51519    1.14661   -0.70466       0.05795   -0.03204    0.01409
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   80.1000      0.00408    -76.40499      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10630    1.91333   -1.05118      -0.00448    0.00393   -0.00054
  1.0    -0.03650    3.49623   -0.52185       0.00286   -0.02589   -0.00842
  1.0     1.52150    1.14318   -0.70311       0.06816   -0.03652    0.01701
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   80.2000      0.00487    -76.40578      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10582    1.91371   -1.05125      -0.00509    0.00367   -0.00092
  1.0    -0.03621    3.49405   -0.52253       0.00308   -0.01759   -0.00521
  1.0     1.52880    1.13932   -0.70127       0.07770   -0.04063    0.01976
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   80.3000      0.00578    -76.40670      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10529    1.91406   -1.05136      -0.00566    0.00337   -0.00128
  1.0    -0.03589    3.49271   -0.52289       0.00329   -0.00911   -0.00194
  1.0     1.53702    1.13507   -0.69916       0.08650   -0.04434    0.02233
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   80.4000      0.00678    -76.40770      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10469    1.91438   -1.05151      -0.00618    0.00303   -0.00164
  1.0    -0.03555    3.49223   -0.52292       0.00351   -0.00051    0.00139
  1.0     1.54608    1.13047   -0.69681       0.09452   -0.04762    0.02470
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   80.5000      0.00784    -76.40876      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10405    1.91466   -1.05169      -0.00665    0.00267   -0.00199
  1.0    -0.03519    3.49261   -0.52261       0.00374    0.00813    0.00473
  1.0     1.55590    1.12556   -0.69423       0.10172   -0.05045    0.02688
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   80.6000      0.00894    -76.40985      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10337    1.91491   -1.05191      -0.00706    0.00227   -0.00233
  1.0    -0.03480    3.49386   -0.52197       0.00400    0.01672    0.00807
  1.0     1.56639    1.12039   -0.69144       0.10809   -0.05282    0.02886
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   80.7000      0.01003    -76.41094      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10264    1.91512   -1.05216      -0.00743    0.00186   -0.00265
  1.0    -0.03439    3.49595   -0.52100       0.00428    0.02521    0.01137
  1.0     1.57748    1.11501   -0.68846       0.11360   -0.05471    0.03063
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   80.8000      0.01110    -76.41202      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10188    1.91528   -1.05244      -0.00774    0.00143   -0.00295
  1.0    -0.03394    3.49889   -0.51970       0.00460    0.03350    0.01463
  1.0     1.58909    1.10946   -0.68532       0.11828   -0.05614    0.03220
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   80.9000      0.01213    -76.41304      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10110    1.91540   -1.05275      -0.00801    0.00098   -0.00324
  1.0    -0.03346    3.50264   -0.51808       0.00496    0.04153    0.01780
  1.0     1.60111    1.10380   -0.68203       0.12212   -0.05712    0.03357
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   81.0000      0.01309    -76.41400      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10028    1.91548   -1.05308      -0.00822    0.00053   -0.00350
  1.0    -0.03295    3.50719   -0.51614       0.00537    0.04924    0.02088
  1.0     1.61348    1.09806   -0.67861       0.12516   -0.05764    0.03474
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   81.1000      0.01397    -76.41488      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09945    1.91551   -1.05345      -0.00840    0.00007   -0.00375
  1.0    -0.03239    3.51248   -0.51391       0.00584    0.05656    0.02383
  1.0     1.62612    1.09228   -0.67509       0.12742   -0.05773    0.03572
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   81.2000      0.01474    -76.41566      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09861    1.91549   -1.05383      -0.00852   -0.00038   -0.00398
  1.0    -0.03178    3.51848   -0.51138       0.00636    0.06344    0.02665
  1.0     1.63894    1.08652   -0.67147       0.12892   -0.05741    0.03652
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   81.3000      0.01541    -76.41632      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09775    1.91543   -1.05424      -0.00861   -0.00083   -0.00419
  1.0    -0.03112    3.52515   -0.50858       0.00694    0.06984    0.02931
  1.0     1.65188    1.08082   -0.66779       0.12971   -0.05669    0.03714
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   81.4000      0.01595    -76.41686      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09688    1.91533   -1.05467      -0.00866   -0.00127   -0.00437
  1.0    -0.03039    3.53243   -0.50552       0.00758    0.07571    0.03180
  1.0     1.66486    1.07520   -0.66405       0.12982   -0.05560    0.03760
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   81.5000      0.01637    -76.41728      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09602    1.91518   -1.05512      -0.00867   -0.00169   -0.00454
  1.0    -0.02960    3.54028   -0.50223       0.00829    0.08102    0.03411
  1.0     1.67782    1.06971   -0.66028       0.12929   -0.05417    0.03790
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   81.6000      0.01665    -76.41756      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09515    1.91499   -1.05558      -0.00865   -0.00210   -0.00468
  1.0    -0.02873    3.54862   -0.49871       0.00906    0.08575    0.03623
  1.0     1.69070    1.06438   -0.65648       0.12817   -0.05241    0.03805
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   81.7000      0.01680    -76.41771      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09429    1.91476   -1.05605      -0.00859   -0.00249   -0.00480
  1.0    -0.02778    3.55741   -0.49499       0.00988    0.08989    0.03815
  1.0     1.70344    1.05924   -0.65267       0.12648   -0.05035    0.03807
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   81.8000      0.01682    -76.41773      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09343    1.91449   -1.05654      -0.00851   -0.00286   -0.00490
  1.0    -0.02675    3.56658   -0.49108       0.01077    0.09342    0.03988
  1.0     1.71598    1.05432   -0.64887       0.12428   -0.04802    0.03795
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   81.9000      0.01671    -76.41762      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09259    1.91419   -1.05703      -0.00840   -0.00321   -0.00498
  1.0    -0.02563    3.57607   -0.48702       0.01171    0.09634    0.04140
  1.0     1.72828    1.04964   -0.64508       0.12160   -0.04543    0.03772
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   82.0000      0.01648    -76.41739      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09176    1.91385   -1.05753      -0.00827   -0.00353   -0.00505
  1.0    -0.02441    3.58583   -0.48281       0.01270    0.09866    0.04271
  1.0     1.74028    1.04524   -0.64133       0.11849   -0.04261    0.03737
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   82.1000      0.01613    -76.41705      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09094    1.91348   -1.05804      -0.00811   -0.00383   -0.00509
  1.0    -0.02309    3.59578   -0.47848       0.01374    0.10037    0.04382
  1.0     1.75196    1.04113   -0.63761       0.11496   -0.03959    0.03692
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   82.2000      0.01569    -76.41660      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09013    1.91309   -1.05855      -0.00793   -0.00410   -0.00511
  1.0    -0.02166    3.60588   -0.47405       0.01482    0.10150    0.04473
  1.0     1.76326    1.03733   -0.63395       0.11107   -0.03637    0.03637
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   82.3000      0.01515    -76.41606      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08935    1.91266   -1.05906      -0.00774   -0.00435   -0.00511
  1.0    -0.02012    3.61606   -0.46954       0.01594    0.10206    0.04544
  1.0     1.77416    1.03386   -0.63034       0.10684   -0.03299    0.03573
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   82.4000      0.01452    -76.41544      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08859    1.91222   -1.05957      -0.00752   -0.00457   -0.00510
  1.0    -0.01847    3.62627   -0.46497       0.01709    0.10206    0.04596
  1.0     1.78462    1.03073   -0.62680       0.10230   -0.02946    0.03501
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   82.5000      0.01383    -76.41475      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08785    1.91175   -1.06008      -0.00729   -0.00477   -0.00507
  1.0    -0.01670    3.63646   -0.46036       0.01828    0.10153    0.04630
  1.0     1.79461    1.02797   -0.62334       0.09748   -0.02580    0.03422
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   82.6000      0.01309    -76.41400      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08713    1.91126   -1.06059      -0.00705   -0.00494   -0.00503
  1.0    -0.01481    3.64656   -0.45572       0.01949    0.10050    0.04645
  1.0     1.80411    1.02558   -0.61996       0.09241   -0.02202    0.03335
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   82.7000      0.01230    -76.41321      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08644    1.91076   -1.06109      -0.00679   -0.00509   -0.00497
  1.0    -0.01280    3.65654   -0.45107       0.02071    0.09898    0.04644
  1.0     1.81309    1.02357   -0.61667       0.08711   -0.01814    0.03243
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   82.8000      0.01148    -76.41240      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08577    1.91025   -1.06158      -0.00653   -0.00522   -0.00490
  1.0    -0.01067    3.66634   -0.44644       0.02196    0.09700    0.04625
  1.0     1.82153    1.02195   -0.61348       0.08161   -0.01418    0.03144
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   82.9000      0.01065    -76.41157      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08513    1.90972   -1.06207      -0.00625   -0.00532   -0.00481
  1.0    -0.00841    3.67593   -0.44183       0.02321    0.09459    0.04591
  1.0     1.82940    1.02073   -0.61039       0.07593   -0.01014    0.03039
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   83.0000      0.00982    -76.41073      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08452    1.90918   -1.06254      -0.00596   -0.00540   -0.00471
  1.0    -0.00603    3.68525   -0.43726       0.02447    0.09177    0.04542
  1.0     1.83671    1.01993   -0.60740       0.07008   -0.00604    0.02930
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   83.1000      0.00900    -76.40991      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08394    1.90864   -1.06301      -0.00566   -0.00546   -0.00460
  1.0    -0.00352    3.69427   -0.43275       0.02573    0.08858    0.04479
  1.0     1.84342    1.01953   -0.60453       0.06409   -0.00189    0.02816
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   83.2000      0.00819    -76.40911      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08339    1.90809   -1.06346      -0.00535   -0.00550   -0.00447
  1.0    -0.00088    3.70295   -0.42830       0.02698    0.08504    0.04403
  1.0     1.84952    1.01955   -0.60177       0.05798    0.00230    0.02698
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   83.3000      0.00743    -76.40834      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08287    1.90754   -1.06390      -0.00504   -0.00552   -0.00434
  1.0     0.00188    3.71127   -0.42394       0.02823    0.08117    0.04314
  1.0     1.85501    1.01999   -0.59914       0.05176    0.00651    0.02576
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   83.4000      0.00670    -76.40762      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08238    1.90699   -1.06433      -0.00472   -0.00553   -0.00420
  1.0     0.00476    3.71918   -0.41968       0.02947    0.07700    0.04214
  1.0     1.85987    1.02085   -0.59662       0.04545    0.01074    0.02450
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   83.5000      0.00603    -76.40695      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08193    1.90643   -1.06474      -0.00440   -0.00551   -0.00405
  1.0     0.00777    3.72666   -0.41552       0.03070    0.07255    0.04102
  1.0     1.86410    1.02214   -0.59424       0.03906    0.01498    0.02322
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   83.6000      0.00543    -76.40634      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08150    1.90588   -1.06514      -0.00407   -0.00549   -0.00389
  1.0     0.01090    3.73368   -0.41148       0.03190    0.06784    0.03980
  1.0     1.86768    1.02385   -0.59198       0.03261    0.01921    0.02190
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   83.7000      0.00489    -76.40580      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08111    1.90534   -1.06552      -0.00373   -0.00544   -0.00372
  1.0     0.01415    3.74022   -0.40756       0.03309    0.06291    0.03848
  1.0     1.87062    1.02598   -0.58986       0.02612    0.02344    0.02056
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   83.8000      0.00443    -76.40534      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08076    1.90480   -1.06588      -0.00339   -0.00538   -0.00355
  1.0     0.01752    3.74625   -0.40379       0.03426    0.05777    0.03708
  1.0     1.87290    1.02854   -0.58787       0.01959    0.02765    0.01920
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   83.9000      0.00405    -76.40497      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08044    1.90426   -1.06623      -0.00305   -0.00531   -0.00337
  1.0     0.02100    3.75176   -0.40015       0.03539    0.05243    0.03559
  1.0     1.87453    1.03151   -0.58602       0.01304    0.03183    0.01783
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   84.0000      0.00377    -76.40468      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08015    1.90374   -1.06655      -0.00271   -0.00522   -0.00318
  1.0     0.02460    3.75673   -0.39667       0.03650    0.04693    0.03402
  1.0     1.87551    1.03490   -0.58430       0.00648    0.03598    0.01643
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   84.1000      0.00357    -76.40448      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07989    1.90322   -1.06686      -0.00236   -0.00513   -0.00299
  1.0     0.02830    3.76114   -0.39335       0.03758    0.04127    0.03239
  1.0     1.87583    1.03870   -0.58273      -0.00007    0.04009    0.01502
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   84.2000      0.00347    -76.40438      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07967    1.90271   -1.06715      -0.00202   -0.00502   -0.00279
  1.0     0.03211    3.76498   -0.39020       0.03863    0.03549    0.03069
  1.0     1.87550    1.04292   -0.58130      -0.00660    0.04414    0.01360
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   84.3000      0.00347    -76.40438      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07949    1.90221   -1.06742      -0.00167   -0.00490   -0.00259
  1.0     0.03602    3.76824   -0.38721       0.03964    0.02959    0.02893
  1.0     1.87451    1.04753   -0.58001      -0.01309    0.04814    0.01218
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   84.4000      0.00356    -76.40448      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07934    1.90173   -1.06767      -0.00133   -0.00477   -0.00239
  1.0     0.04004    3.77090   -0.38441       0.04061    0.02360    0.02712
  1.0     1.87288    1.05254   -0.57886      -0.01954    0.05208    0.01075
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   84.5000      0.00376    -76.40467      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07922    1.90126   -1.06790      -0.00098   -0.00463   -0.00218
  1.0     0.04414    3.77296   -0.38179       0.04154    0.01752    0.02526
  1.0     1.87061    1.05794   -0.57786      -0.02593    0.05594    0.00933
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   84.6000      0.00405    -76.40496      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07914    1.90081   -1.06811      -0.00064   -0.00448   -0.00197
  1.0     0.04834    3.77440   -0.37936       0.04242    0.01139    0.02336
  1.0     1.86770    1.06373   -0.57700      -0.03224    0.05972    0.00790
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   84.7000      0.00443    -76.40534      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07910    1.90037   -1.06829      -0.00030   -0.00432   -0.00176
  1.0     0.05263    3.77523   -0.37712       0.04327    0.00521    0.02142
  1.0     1.86416    1.06988   -0.57628      -0.03846    0.06341    0.00649
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   84.8000      0.00491    -76.40582      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07908    1.89994   -1.06846       0.00003   -0.00416   -0.00155
  1.0     0.05700    3.77544   -0.37508       0.04407   -0.00101    0.01945
  1.0     1.86001    1.07641   -0.57570      -0.04457    0.06699    0.00508
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   84.9000      0.00547    -76.40639      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07910    1.89953   -1.06860       0.00036   -0.00398   -0.00133
  1.0     0.06144    3.77503   -0.37323       0.04482   -0.00723    0.01746
  1.0     1.85525    1.08328   -0.57526      -0.05056    0.07048    0.00369
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   85.0000      0.00612    -76.40703      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07915    1.89914   -1.06872       0.00069   -0.00380   -0.00112
  1.0     0.06596    3.77400   -0.37159       0.04552   -0.01346    0.01544
  1.0     1.84990    1.09050   -0.57496      -0.05640    0.07384    0.00233
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   85.1000      0.00684    -76.40775      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07924    1.89877   -1.06882       0.00100   -0.00362   -0.00091
  1.0     0.07054    3.77234   -0.37014       0.04617   -0.01967    0.01340
  1.0     1.84398    1.09804   -0.57479      -0.06208    0.07707    0.00098
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   85.2000      0.00763    -76.40854      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07935    1.89842   -1.06890       0.00131   -0.00342   -0.00069
  1.0     0.07519    3.77006   -0.36891       0.04677   -0.02584    0.01135
  1.0     1.83749    1.10591   -0.57476      -0.06757    0.08017   -0.00033
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   85.3000      0.00848    -76.40939      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07950    1.89809   -1.06896       0.00161   -0.00322   -0.00049
  1.0     0.07989    3.76717   -0.36787       0.04731   -0.03197    0.00930
  1.0     1.83047    1.11407   -0.57486      -0.07286    0.08312   -0.00160
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   85.4000      0.00938    -76.41029      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07968    1.89778   -1.06900       0.00190   -0.00302   -0.00028
  1.0     0.08465    3.76367   -0.36705       0.04779   -0.03803    0.00725
  1.0     1.82293    1.12252   -0.57508      -0.07791    0.08590   -0.00283
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   85.5000      0.01031    -76.41122      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07988    1.89749   -1.06902       0.00217   -0.00280   -0.00007
  1.0     0.08945    3.75957   -0.36642       0.04822   -0.04400    0.00520
  1.0     1.81489    1.13125   -0.57542      -0.08272    0.08852   -0.00402
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   85.6000      0.01127    -76.41218      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08011    1.89722   -1.06902       0.00244   -0.00259    0.00012
  1.0     0.09429    3.75488   -0.36601       0.04859   -0.04988    0.00316
  1.0     1.80639    1.14022   -0.57588      -0.08724    0.09094   -0.00514
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   85.7000      0.01224    -76.41315      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08037    1.89697   -1.06899       0.00268   -0.00237    0.00032
  1.0     0.09917    3.74960   -0.36579       0.04890   -0.05564    0.00114
  1.0     1.79746    1.14943   -0.57645      -0.09146    0.09317   -0.00621
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   85.8000      0.01321    -76.41412      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08065    1.89674   -1.06895       0.00291   -0.00214    0.00051
  1.0     0.10407    3.74375   -0.36578       0.04914   -0.06126   -0.00086
  1.0     1.78811    1.15885   -0.57712      -0.09534    0.09519   -0.00720
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   85.9000      0.01417    -76.41508      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08095    1.89654   -1.06889       0.00312   -0.00191    0.00069
  1.0     0.10899    3.73735   -0.36596       0.04932   -0.06672   -0.00283
  1.0     1.77840    1.16846   -0.57789      -0.09885    0.09698   -0.00811
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   86.0000      0.01509    -76.41600      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08127    1.89636   -1.06882       0.00331   -0.00167    0.00086
  1.0     0.11393    3.73041   -0.36634       0.04944   -0.07201   -0.00476
  1.0     1.76836    1.17824   -0.57874      -0.10197    0.09853   -0.00893
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   86.1000      0.01596    -76.41687      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08161    1.89621   -1.06872       0.00348   -0.00143    0.00103
  1.0     0.11888    3.72296   -0.36691       0.04949   -0.07711   -0.00665
  1.0     1.75802    1.18816   -0.57967      -0.10466    0.09983   -0.00965
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   86.2000      0.01676    -76.41768      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08196    1.89608   -1.06861       0.00362   -0.00119    0.00118
  1.0     0.12383    3.71500   -0.36767       0.04947   -0.08198   -0.00848
  1.0     1.74744    1.19819   -0.58067      -0.10687    0.10085   -0.01026
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   86.3000      0.01749    -76.41840      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08233    1.89597   -1.06849       0.00373   -0.00094    0.00132
  1.0     0.12877    3.70657   -0.36861       0.04938   -0.08662   -0.01026
  1.0     1.73666    1.20832   -0.58172      -0.10859    0.10160   -0.01076
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   86.4000      0.01811    -76.41903      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08271    1.89589   -1.06835       0.00382   -0.00070    0.00146
  1.0     0.13370    3.69768   -0.36972       0.04922   -0.09099   -0.01197
  1.0     1.72574    1.21850   -0.58281      -0.10977    0.10204   -0.01112
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   86.5000      0.01862    -76.41954      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08309    1.89583   -1.06819       0.00387   -0.00045    0.00157
  1.0     0.13861    3.68838   -0.37100       0.04899   -0.09507   -0.01361
  1.0     1.71473    1.22872   -0.58394      -0.11038    0.10217   -0.01135
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   86.6000      0.01901    -76.41992      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08348    1.89580   -1.06803       0.00389   -0.00020    0.00167
  1.0     0.14349    3.67868   -0.37244       0.04868   -0.09884   -0.01516
  1.0     1.70369    1.23893   -0.58508      -0.11038    0.10197   -0.01142
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   86.7000      0.01925    -76.42016      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08387    1.89579   -1.06786       0.00387    0.00005    0.00176
  1.0     0.14834    3.66862   -0.37403       0.04831   -0.10227   -0.01661
  1.0     1.69267    1.24910   -0.58622      -0.10973    0.10143   -0.01133
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   86.8000      0.01934    -76.42025      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08425    1.89581   -1.06768       0.00382    0.00030    0.00183
  1.0     0.15315    3.65824   -0.37576       0.04786   -0.10533   -0.01796
  1.0     1.68176    1.25920   -0.58734      -0.10842    0.10054   -0.01108
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   86.9000      0.01927    -76.42018      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08463    1.89585   -1.06750       0.00372    0.00055    0.00188
  1.0     0.15791    3.64757   -0.37761       0.04734   -0.10799   -0.01919
  1.0     1.67101    1.26919   -0.58843      -0.10641    0.09929   -0.01064
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   87.0000      0.01903    -76.41995      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08500    1.89592   -1.06731       0.00359    0.00079    0.00191
  1.0     0.16262    3.63666   -0.37959       0.04675   -0.11024   -0.02030
  1.0     1.66050    1.27904   -0.58946      -0.10368    0.09767   -0.01002
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   87.1000      0.01863    -76.41955      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08535    1.89601   -1.06711       0.00341    0.00103    0.00192
  1.0     0.16726    3.62554   -0.38167       0.04609   -0.11203   -0.02127
  1.0     1.65030    1.28872   -0.59042      -0.10021    0.09568   -0.00921
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   87.2000      0.01807    -76.41899      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08568    1.89612   -1.06692       0.00319    0.00126    0.00191
  1.0     0.17183    3.61426   -0.38384       0.04536   -0.11335   -0.02209
  1.0     1.64048    1.29817   -0.59130      -0.09599    0.09331   -0.00819
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   87.3000      0.01736    -76.41827      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08598    1.89626   -1.06673       0.00293    0.00149    0.00187
  1.0     0.17633    3.60288   -0.38608       0.04456   -0.11417   -0.02276
  1.0     1.63113    1.30737   -0.59206      -0.09102    0.09058   -0.00698
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   87.4000      0.01651    -76.41742      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08626    1.89642   -1.06655       0.00262    0.00170    0.00182
  1.0     0.18075    3.59145   -0.38839       0.04370   -0.11445   -0.02325
  1.0     1.62231    1.31627   -0.59269      -0.08530    0.08747   -0.00557
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   87.5000      0.01553    -76.41644      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08651    1.89660   -1.06637       0.00227    0.00190    0.00173
  1.0     0.18507    3.58001   -0.39073       0.04278   -0.11418   -0.02357
  1.0     1.61409    1.32485   -0.59316      -0.07884    0.08400   -0.00396
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   87.6000      0.01445    -76.41537      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08672    1.89680   -1.06620       0.00188    0.00209    0.00163
  1.0     0.18930    3.56863   -0.39309       0.04179   -0.11333   -0.02369
  1.0     1.60656    1.33306   -0.59347      -0.07168    0.08019   -0.00217
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   87.7000      0.01330    -76.41421      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08688    1.89702   -1.06605       0.00145    0.00226    0.00150
  1.0     0.19343    3.55737   -0.39546       0.04075   -0.11188   -0.02362
  1.0     1.59978    1.34088   -0.59359      -0.06383    0.07606   -0.00019
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   87.8000      0.01210    -76.41301      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08701    1.89725   -1.06590       0.00099    0.00241    0.00135
  1.0     0.19745    3.54628   -0.39781       0.03966   -0.10982   -0.02334
  1.0     1.59381    1.34826   -0.59350      -0.05537    0.07161    0.00196
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   87.9000      0.01088    -76.41180      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08708    1.89750   -1.06578       0.00049    0.00254    0.00117
  1.0     0.20136    3.53542   -0.40012       0.03853   -0.10713   -0.02284
  1.0     1.58873    1.35519   -0.59319      -0.04633    0.06689    0.00425
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   88.0000      0.00969    -76.41060      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08710    1.89776   -1.06567      -0.00003    0.00264    0.00097
  1.0     0.20515    3.52487   -0.40237       0.03735   -0.10381   -0.02213
  1.0     1.58456    1.36163   -0.59265      -0.03680    0.06193    0.00668
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   88.1000      0.00854    -76.40945      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08707    1.89803   -1.06558      -0.00058    0.00272    0.00075
  1.0     0.20883    3.51468   -0.40454       0.03613   -0.09985   -0.02119
  1.0     1.58138    1.36757   -0.59186      -0.02686    0.05675    0.00922
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   88.2000      0.00747    -76.40838      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08699    1.89830   -1.06552      -0.00115    0.00276    0.00052
  1.0     0.21238    3.50492   -0.40660       0.03489   -0.09526   -0.02003
  1.0     1.57920    1.37297   -0.59080      -0.01659    0.05139    0.01183
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   88.3000      0.00651    -76.40742      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08684    1.89858   -1.06548      -0.00173    0.00278    0.00026
  1.0     0.21580    3.49565   -0.40854       0.03361   -0.09004   -0.01864
  1.0     1.57807    1.37784   -0.58949      -0.00609    0.04590    0.01450
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   88.4000      0.00568    -76.40660      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08664    1.89885   -1.06547      -0.00232    0.00277   -0.00001
  1.0     0.21910    3.48694   -0.41032       0.03232   -0.08421   -0.01704
  1.0     1.57799    1.38215   -0.58790       0.00453    0.04032    0.01718
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   88.5000      0.00501    -76.40593      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08638    1.89913   -1.06548      -0.00291    0.00272   -0.00029
  1.0     0.22227    3.47883   -0.41193       0.03102   -0.07780   -0.01522
  1.0     1.57897    1.38590   -0.58605       0.01517    0.03469    0.01986
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   88.6000      0.00451    -76.40542      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08606    1.89940   -1.06553      -0.00349    0.00263   -0.00059
  1.0     0.22530    3.47139   -0.41336       0.02971   -0.07083   -0.01320
  1.0     1.58102    1.38909   -0.58393       0.02572    0.02904    0.02249
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   88.7000      0.00419    -76.40510      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08568    1.89965   -1.06560      -0.00406    0.00252   -0.00089
  1.0     0.22821    3.46468   -0.41457       0.02839   -0.06335   -0.01098
  1.0     1.58411    1.39171   -0.58156       0.03608    0.02343    0.02505
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   88.8000      0.00405    -76.40496      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08524    1.89990   -1.06570      -0.00461    0.00236   -0.00119
  1.0     0.23098    3.45874   -0.41555       0.02707   -0.05541   -0.00860
  1.0     1.58823    1.39378   -0.57893       0.04616    0.01790    0.02751
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   88.9000      0.00409    -76.40500      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08476    1.90013   -1.06584      -0.00514    0.00218   -0.00150
  1.0     0.23362    3.45361   -0.41628       0.02576   -0.04705   -0.00606
  1.0     1.59333    1.39529   -0.57606       0.05585    0.01247    0.02984
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   89.0000      0.00430    -76.40522      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08422    1.90033   -1.06600      -0.00564    0.00196   -0.00180
  1.0     0.23613    3.44934   -0.41676       0.02445   -0.03835   -0.00338
  1.0     1.59938    1.39628   -0.57296       0.06508    0.00718    0.03201
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   89.1000      0.00468    -76.40559      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08363    1.90052   -1.06620      -0.00611    0.00172   -0.00211
  1.0     0.23851    3.44595   -0.41695       0.02315   -0.02937   -0.00060
  1.0     1.60633    1.39674   -0.56966       0.07377    0.00207    0.03401
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   89.2000      0.00520    -76.40612      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08300    1.90068   -1.06642      -0.00654    0.00145   -0.00240
  1.0     0.24076    3.44348   -0.41687       0.02186   -0.02018    0.00227
  1.0     1.61412    1.39670   -0.56617       0.08186   -0.00284    0.03581
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   89.3000      0.00585    -76.40677      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08232    1.90081   -1.06668      -0.00692    0.00116   -0.00268
  1.0     0.24288    3.44192   -0.41650       0.02058   -0.01086    0.00519
  1.0     1.62268    1.39618   -0.56251       0.08929   -0.00754    0.03739
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   89.4000      0.00661    -76.40752      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08161    1.90091   -1.06696      -0.00727    0.00085   -0.00295
  1.0     0.24488    3.44131   -0.41583       0.01931   -0.00149    0.00813
  1.0     1.63195    1.39520   -0.55870       0.09602   -0.01199    0.03876
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   89.5000      0.00744    -76.40836      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08087    1.90098   -1.06727      -0.00757    0.00052   -0.00321
  1.0     0.24675    3.44162   -0.41487       0.01805    0.00786    0.01106
  1.0     1.64186    1.39379   -0.55476       0.10203   -0.01618    0.03989
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   89.6000      0.00834    -76.40925      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08010    1.90101   -1.06760      -0.00782    0.00019   -0.00345
  1.0     0.24849    3.44287   -0.41362       0.01680    0.01709    0.01396
  1.0     1.65233    1.39197   -0.55073       0.10730   -0.02011    0.04078
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   89.7000      0.00926    -76.41017      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07931    1.90101   -1.06796      -0.00802   -0.00015   -0.00367
  1.0     0.25011    3.44504   -0.41208       0.01555    0.02615    0.01680
  1.0     1.66329    1.38977   -0.54661       0.11181   -0.02376    0.04145
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   89.8000      0.01019    -76.41110      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07850    1.90098   -1.06834      -0.00818   -0.00049   -0.00387
  1.0     0.25160    3.44809   -0.41027       0.01430    0.03495    0.01953
  1.0     1.67467    1.38723   -0.54245       0.11557   -0.02714    0.04187
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   89.9000      0.01110    -76.41202      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07767    1.90092   -1.06873      -0.00829   -0.00083   -0.00405
  1.0     0.25297    3.45202   -0.40818       0.01305    0.04343    0.02215
  1.0     1.68638    1.38436   -0.53825       0.11859   -0.03024    0.04207
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   90.0000      0.01198    -76.41289      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07684    1.90082   -1.06914      -0.00836   -0.00116   -0.00420
  1.0     0.25421    3.45677   -0.40584       0.01180    0.05153    0.02462
  1.0     1.69836    1.38119   -0.53404       0.12087   -0.03306    0.04204
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   90.1000      0.01279    -76.41370      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07600    1.90068   -1.06957      -0.00838   -0.00149   -0.00433
  1.0     0.25533    3.46231   -0.40326       0.01054    0.05918    0.02693
  1.0     1.71053    1.37775   -0.52985       0.12245   -0.03561    0.04179
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   90.2000      0.01352    -76.41444      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07517    1.90052   -1.07001      -0.00836   -0.00179   -0.00444
  1.0     0.25632    3.46859   -0.40046       0.00927    0.06635    0.02905
  1.0     1.72283    1.37407   -0.52569       0.12334   -0.03789    0.04134
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   90.3000      0.01416    -76.41508      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07433    1.90033   -1.07046      -0.00829   -0.00209   -0.00451
  1.0     0.25718    3.47556   -0.39746       0.00800    0.07300    0.03097
  1.0     1.73518    1.37018   -0.52159       0.12357   -0.03990    0.04069
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   90.4000      0.01470    -76.41561      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07351    1.90010   -1.07091      -0.00818   -0.00236   -0.00457
  1.0     0.25792    3.48317   -0.39428       0.00672    0.07908    0.03267
  1.0     1.74752    1.36610   -0.51756       0.12318   -0.04166    0.03985
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   90.5000      0.01511    -76.41603      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07270    1.89985   -1.07137      -0.00804   -0.00261   -0.00460
  1.0     0.25852    3.49136   -0.39093       0.00542    0.08458    0.03415
  1.0     1.75979    1.36186   -0.51362       0.12219   -0.04318    0.03884
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   90.6000      0.01541    -76.41632      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07190    1.89958   -1.07183      -0.00786   -0.00284   -0.00460
  1.0     0.25900    3.50006   -0.38745       0.00411    0.08948    0.03540
  1.0     1.77194    1.35747   -0.50979       0.12064   -0.04446    0.03766
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   90.7000      0.01558    -76.41649      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07113    1.89929   -1.07229      -0.00765   -0.00304   -0.00458
  1.0     0.25934    3.50923   -0.38386       0.00279    0.09377    0.03641
  1.0     1.78390    1.35297   -0.50609       0.11856   -0.04551    0.03633
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   90.8000      0.01562    -76.41653      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07038    1.89898   -1.07275      -0.00740   -0.00322   -0.00454
  1.0     0.25956    3.51880   -0.38018       0.00146    0.09745    0.03719
  1.0     1.79564    1.34838   -0.50253       0.11599   -0.04634    0.03486
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   90.9000      0.01554    -76.41645      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06965    1.89865   -1.07320      -0.00713   -0.00337   -0.00447
  1.0     0.25964    3.52870   -0.37643       0.00012    0.10051    0.03773
  1.0     1.80709    1.34371   -0.49913       0.11297   -0.04697    0.03326
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   91.0000      0.01533    -76.41625      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06895    1.89830   -1.07364      -0.00682   -0.00350   -0.00439
  1.0     0.25958    3.53888   -0.37264      -0.00124    0.10297    0.03805
  1.0     1.81821    1.33899   -0.49588       0.10952   -0.04741    0.03155
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   91.1000      0.01502    -76.41593      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06829    1.89795   -1.07407      -0.00650   -0.00360   -0.00428
  1.0     0.25939    3.54928   -0.36883      -0.00260    0.10484    0.03814
  1.0     1.82898    1.33424   -0.49282       0.10568   -0.04766    0.02972
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   91.2000      0.01460    -76.41551      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06765    1.89758   -1.07449      -0.00614   -0.00368   -0.00415
  1.0     0.25906    3.55983   -0.36502      -0.00396    0.10613    0.03800
  1.0     1.83934    1.32947   -0.48994       0.10148   -0.04773    0.02780
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   91.3000      0.01408    -76.41500      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06706    1.89721   -1.07490      -0.00577   -0.00373   -0.00400
  1.0     0.25860    3.57048   -0.36124      -0.00533    0.10686    0.03766
  1.0     1.84926    1.32470   -0.48726       0.09694   -0.04764    0.02580
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   91.4000      0.01349    -76.41440      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06650    1.89684   -1.07529      -0.00538   -0.00376   -0.00383
  1.0     0.25799    3.58118   -0.35749      -0.00671    0.10705    0.03712
  1.0     1.85872    1.31994   -0.48479       0.09210   -0.04740    0.02371
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   91.5000      0.01282    -76.41373      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06598    1.89646   -1.07567      -0.00497   -0.00376   -0.00365
  1.0     0.25725    3.59188   -0.35382      -0.00808    0.10673    0.03638
  1.0     1.86767    1.31522   -0.48252       0.08699   -0.04701    0.02155
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   91.6000      0.01209    -76.41301      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06551    1.89608   -1.07602      -0.00455   -0.00375   -0.00345
  1.0     0.25638    3.60251   -0.35023      -0.00945    0.10592    0.03545
  1.0     1.87611    1.31055   -0.48048       0.08162   -0.04648    0.01934
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   91.7000      0.01132    -76.41224      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06507    1.89571   -1.07636      -0.00411   -0.00371   -0.00324
  1.0     0.25536    3.61305   -0.34673      -0.01082    0.10464    0.03436
  1.0     1.88399    1.30593   -0.47866       0.07602   -0.04582    0.01706
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   91.8000      0.01052    -76.41144      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06468    1.89534   -1.07667      -0.00366   -0.00365   -0.00301
  1.0     0.25421    3.62343   -0.34336      -0.01218    0.10291    0.03310
  1.0     1.89130    1.30139   -0.47707       0.07022   -0.04504    0.01474
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   91.9000      0.00971    -76.41062      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06434    1.89498   -1.07696      -0.00320   -0.00357   -0.00278
  1.0     0.25293    3.63361   -0.34012      -0.01353    0.10077    0.03169
  1.0     1.89803    1.29693   -0.47571       0.06424   -0.04415    0.01238
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   92.0000      0.00888    -76.40980      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06405    1.89463   -1.07723      -0.00272   -0.00347   -0.00253
  1.0     0.25151    3.64357   -0.33703      -0.01487    0.09824    0.03014
  1.0     1.90415    1.29256   -0.47459       0.05809   -0.04316    0.00999
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   92.1000      0.00807    -76.40898      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06380    1.89429   -1.07747      -0.00224   -0.00336   -0.00227
  1.0     0.24996    3.65325   -0.33410      -0.01619    0.09535    0.02846
  1.0     1.90964    1.28830   -0.47371       0.05180   -0.04206    0.00757
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   92.2000      0.00728    -76.40819      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06360    1.89396   -1.07768      -0.00176   -0.00323   -0.00200
  1.0     0.24827    3.66263   -0.33134      -0.01751    0.09212    0.02665
  1.0     1.91450    1.28415   -0.47308       0.04538   -0.04088    0.00512
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   92.3000      0.00651    -76.40743      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06345    1.89364   -1.07787      -0.00126   -0.00308   -0.00173
  1.0     0.24645    3.67166   -0.32877      -0.01880    0.08857    0.02474
  1.0     1.91871    1.28012   -0.47269       0.03886   -0.03961    0.00266
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   92.4000      0.00579    -76.40671      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06334    1.89334   -1.07802      -0.00077   -0.00293   -0.00144
  1.0     0.24451    3.68033   -0.32639      -0.02008    0.08473    0.02273
  1.0     1.92227    1.27623   -0.47255       0.03224   -0.03827    0.00018
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   92.5000      0.00513    -76.40604      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06329    1.89306   -1.07815      -0.00027   -0.00276   -0.00115
  1.0     0.24244    3.68860   -0.32423      -0.02133    0.08062    0.02062
  1.0     1.92516    1.27247   -0.47265       0.02554   -0.03685   -0.00230
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   92.6000      0.00452    -76.40543      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06329    1.89279   -1.07825       0.00024   -0.00258   -0.00086
  1.0     0.24025    3.69645   -0.32227      -0.02257    0.07627    0.01843
  1.0     1.92738    1.26886   -0.47301       0.01879   -0.03537   -0.00479
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   92.7000      0.00398    -76.40490      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06334    1.89254   -1.07833       0.00074   -0.00239   -0.00056
  1.0     0.23793    3.70385   -0.32054      -0.02378    0.07169    0.01617
  1.0     1.92892    1.26540   -0.47361       0.01198   -0.03383   -0.00727
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   92.8000      0.00352    -76.40443      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06344    1.89232   -1.07837       0.00125   -0.00218   -0.00026
  1.0     0.23549    3.71078   -0.31904      -0.02496    0.06690    0.01384
  1.0     1.92977    1.26210   -0.47446       0.00515   -0.03224   -0.00975
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   92.9000      0.00314    -76.40406      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06359    1.89211   -1.07838       0.00175   -0.00197    0.00005
  1.0     0.23294    3.71722   -0.31778      -0.02612    0.06193    0.01145
  1.0     1.92994    1.25895   -0.47556      -0.00170   -0.03060   -0.01222
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   93.0000      0.00285    -76.40376      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06379    1.89192   -1.07836       0.00226   -0.00176    0.00036
  1.0     0.23027    3.72316   -0.31675      -0.02726    0.05679    0.00902
  1.0     1.92943    1.25598   -0.47690      -0.00856   -0.02891   -0.01468
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   93.1000      0.00265    -76.40356      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06404    1.89176   -1.07831       0.00276   -0.00153    0.00067
  1.0     0.22749    3.72857   -0.31597      -0.02836    0.05150    0.00653
  1.0     1.92823    1.25317   -0.47849      -0.01541   -0.02719   -0.01711
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   93.2000      0.00255    -76.40346      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06434    1.89161   -1.07822       0.00326   -0.00130    0.00098
  1.0     0.22460    3.73345   -0.31545      -0.02944    0.04608    0.00402
  1.0     1.92635    1.25054   -0.48033      -0.02224   -0.02544   -0.01953
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   93.3000      0.00254    -76.40345      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06469    1.89150   -1.07811       0.00375   -0.00106    0.00129
  1.0     0.22160    3.73779   -0.31517      -0.03049    0.04054    0.00147
  1.0     1.92379    1.24809   -0.48240      -0.02902   -0.02366   -0.02192
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   93.4000      0.00263    -76.40354      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06509    1.89140   -1.07797       0.00424   -0.00082    0.00160
  1.0     0.21850    3.74156   -0.31515      -0.03150    0.03490   -0.00110
  1.0     1.92055    1.24581   -0.48471      -0.03576   -0.02186   -0.02428
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   93.5000      0.00282    -76.40373      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06554    1.89133   -1.07779       0.00472   -0.00057    0.00191
  1.0     0.21530    3.74476   -0.31539      -0.03249    0.02917   -0.00369
  1.0     1.91664    1.24371   -0.48725      -0.04243   -0.02005   -0.02660
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   93.6000      0.00311    -76.40402      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06604    1.89129   -1.07758       0.00520   -0.00032    0.00222
  1.0     0.21200    3.74739   -0.31589      -0.03344    0.02338   -0.00629
  1.0     1.91206    1.24180   -0.49003      -0.04903   -0.01823   -0.02889
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   93.7000      0.00349    -76.40440      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06658    1.89127   -1.07735       0.00566   -0.00007    0.00252
  1.0     0.20861    3.74944   -0.31665      -0.03436    0.01753   -0.00890
  1.0     1.90683    1.24007   -0.49303      -0.05552   -0.01641   -0.03113
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   93.8000      0.00397    -76.40488      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06717    1.89127   -1.07708       0.00612    0.00019    0.00282
  1.0     0.20513    3.75090   -0.31767      -0.03525    0.01165   -0.01151
  1.0     1.90096    1.23852   -0.49625      -0.06190   -0.01460   -0.03332
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   93.9000      0.00454    -76.40545      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06780    1.89130   -1.07678       0.00657    0.00044    0.00312
  1.0     0.20156    3.75177   -0.31895      -0.03610    0.00574   -0.01411
  1.0     1.89446    1.23715   -0.49969      -0.06815   -0.01279   -0.03546
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   94.0000      0.00519    -76.40610      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06848    1.89136   -1.07646       0.00701    0.00071    0.00342
  1.0     0.19791    3.75204   -0.32049      -0.03692   -0.00018   -0.01670
  1.0     1.88734    1.23596   -0.50334      -0.07425   -0.01101   -0.03754
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   94.1000      0.00592    -76.40683      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06920    1.89145   -1.07610       0.00743    0.00097    0.00371
  1.0     0.19418    3.75173   -0.32229      -0.03771   -0.00609   -0.01927
  1.0     1.87961    1.23494   -0.50720      -0.08019   -0.00926   -0.03955
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   94.2000      0.00673    -76.40764      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.06997    1.89156   -1.07571       0.00784    0.00123    0.00399
  1.0     0.19037    3.75083   -0.32435      -0.03846   -0.01199   -0.02182
  1.0     1.87131    1.23410   -0.51125      -0.08593   -0.00754   -0.04150
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   94.3000      0.00759    -76.40850      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07077    1.89169   -1.07530       0.00823    0.00149    0.00427
  1.0     0.18649    3.74933   -0.32665      -0.03917   -0.01785   -0.02434
  1.0     1.86243    1.23343   -0.51549      -0.09147   -0.00587   -0.04336
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   94.4000      0.00851    -76.40943      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07161    1.89185   -1.07486       0.00861    0.00176    0.00453
  1.0     0.18254    3.74726   -0.32921      -0.03986   -0.02366   -0.02682
  1.0     1.85302    1.23293   -0.51992      -0.09677   -0.00425   -0.04514
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   94.5000      0.00948    -76.41039      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07249    1.89204   -1.07440       0.00897    0.00202    0.00479
  1.0     0.17852    3.74460   -0.33202      -0.04050   -0.02940   -0.02926
  1.0     1.84309    1.23258   -0.52452      -0.10182   -0.00270   -0.04683
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   94.6000      0.01048    -76.41139      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07341    1.89226   -1.07390       0.00931    0.00229    0.00505
  1.0     0.17444    3.74138   -0.33506      -0.04111   -0.03506   -0.03166
  1.0     1.83267    1.23239   -0.52928      -0.10659   -0.00123   -0.04843
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   94.7000      0.01149    -76.41240      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07435    1.89250   -1.07339       0.00962    0.00255    0.00529
  1.0     0.17030    3.73760   -0.33835      -0.04169   -0.04062   -0.03400
  1.0     1.82178    1.23233   -0.53420      -0.11104    0.00016   -0.04991
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   94.8000      0.01252    -76.41343      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07533    1.89277   -1.07285       0.00992    0.00281    0.00552
  1.0     0.16610    3.73326   -0.34186      -0.04222   -0.04606   -0.03629
  1.0     1.81047    1.23241   -0.53926      -0.11516    0.00144   -0.05129
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   94.9000      0.01353    -76.41444      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07633    1.89306   -1.07228       0.01019    0.00307    0.00574
  1.0     0.16185    3.72839   -0.34560      -0.04273   -0.05137   -0.03851
  1.0     1.79876    1.23262   -0.54445      -0.11892    0.00261   -0.05254
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   95.0000      0.01452    -76.41543      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07737    1.89338   -1.07170       0.01043    0.00333    0.00594
  1.0     0.15756    3.72299   -0.34956      -0.04320   -0.05652   -0.04065
  1.0     1.78670    1.23293   -0.54977      -0.12227    0.00365   -0.05366
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   95.1000      0.01547    -76.41639      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07842    1.89373   -1.07109       0.01064    0.00359    0.00613
  1.0     0.15322    3.71709   -0.35373      -0.04363   -0.06150   -0.04271
  1.0     1.77432    1.23334   -0.55518      -0.12520    0.00455   -0.05464
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   95.2000      0.01637    -76.41728      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.07949    1.89410   -1.07047       0.01082    0.00384    0.00631
  1.0     0.14883    3.71070   -0.35810      -0.04403   -0.06629   -0.04468
  1.0     1.76167    1.23383   -0.56069      -0.12767    0.00529   -0.05547
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   95.3000      0.01719    -76.41811      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08058    1.89450   -1.06983       0.01097    0.00410    0.00647
  1.0     0.14441    3.70384   -0.36266      -0.04439   -0.07086   -0.04656
  1.0     1.74880    1.23439   -0.56627      -0.12963    0.00585   -0.05615
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   95.4000      0.01793    -76.41884      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08168    1.89492   -1.06918       0.01108    0.00435    0.00662
  1.0     0.13996    3.69653   -0.36741      -0.04472   -0.07518   -0.04833
  1.0     1.73576    1.23500   -0.57191      -0.13107    0.00622   -0.05666
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   95.5000      0.01856    -76.41947      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08280    1.89537   -1.06851       0.01115    0.00459    0.00674
  1.0     0.13547    3.68881   -0.37233      -0.04502   -0.07925   -0.04999
  1.0     1.72261    1.23563   -0.57760      -0.13194    0.00638   -0.05699
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   95.6000      0.01907    -76.41998      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08391    1.89584   -1.06783       0.01118    0.00483    0.00685
  1.0     0.13095    3.68069   -0.37740      -0.04529   -0.08303   -0.05153
  1.0     1.70940    1.23627   -0.58331      -0.13221    0.00631   -0.05714
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   95.7000      0.01945    -76.42036      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08503    1.89633   -1.06714       0.01118    0.00507    0.00693
  1.0     0.12641    3.67222   -0.38263      -0.04553   -0.08649   -0.05293
  1.0     1.69619    1.23688   -0.58902      -0.13185    0.00600   -0.05709
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   95.8000      0.01968    -76.42060      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08615    1.89685   -1.06645       0.01113    0.00530    0.00700
  1.0     0.12185    3.66341   -0.38798      -0.04573   -0.08961   -0.05420
  1.0     1.68305    1.23746   -0.59472      -0.13083    0.00542   -0.05685
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   95.9000      0.01976    -76.42068      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08725    1.89739   -1.06574       0.01103    0.00553    0.00704
  1.0     0.11727    3.65431   -0.39346      -0.04591   -0.09236   -0.05531
  1.0     1.67004    1.23796   -0.60038      -0.12912    0.00457   -0.05640
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   96.0000      0.01968    -76.42060      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08835    1.89796   -1.06504       0.01089    0.00575    0.00706
  1.0     0.11267    3.64495   -0.39904      -0.04606   -0.09472   -0.05626
  1.0     1.65725    1.23836   -0.60599      -0.12669    0.00343   -0.05573
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   96.1000      0.01944    -76.42035      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.08943    1.89854   -1.06433       0.01069    0.00596    0.00705
  1.0     0.10805    3.63538   -0.40471      -0.04619   -0.09665   -0.05704
  1.0     1.64473    1.23864   -0.61152      -0.12354    0.00199   -0.05485
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   96.2000      0.01904    -76.41995      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09049    1.89915   -1.06363       0.01046    0.00617    0.00702
  1.0     0.10343    3.62563   -0.41044      -0.04629   -0.09813   -0.05764
  1.0     1.63256    1.23875   -0.61695      -0.11964    0.00023   -0.05376
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   96.3000      0.01848    -76.41939      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09152    1.89978   -1.06293       0.01017    0.00636    0.00696
  1.0     0.09880    3.61577   -0.41623      -0.04637   -0.09913   -0.05805
  1.0     1.62082    1.23867   -0.62226      -0.11500   -0.00185   -0.05245
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   96.4000      0.01777    -76.41868      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09252    1.90042   -1.06224       0.00983    0.00654    0.00688
  1.0     0.09416    3.60582   -0.42205      -0.04643   -0.09961   -0.05826
  1.0     1.60959    1.23837   -0.62744      -0.10961   -0.00426   -0.05092
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   96.5000      0.01693    -76.41784      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09348    1.90109   -1.06155       0.00945    0.00671    0.00677
  1.0     0.08951    3.59586   -0.42787      -0.04647   -0.09955   -0.05825
  1.0     1.59893    1.23781   -0.63244      -0.10349   -0.00699   -0.04919
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   96.6000      0.01598    -76.41689      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09441    1.90177   -1.06088       0.00902    0.00687    0.00663
  1.0     0.08486    3.58593   -0.43369      -0.04649   -0.09893   -0.05803
  1.0     1.58891    1.23696   -0.63727      -0.09665   -0.01004   -0.04726
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   96.7000      0.01494    -76.41585      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09529    1.90246   -1.06023       0.00855    0.00700    0.00647
  1.0     0.08021    3.57609   -0.43947      -0.04650   -0.09773   -0.05759
  1.0     1.57962    1.23579   -0.64189      -0.08914   -0.01340   -0.04513
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   96.8000      0.01384    -76.41475      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09612    1.90317   -1.05959       0.00803    0.00712    0.00628
  1.0     0.07556    3.56641   -0.44520      -0.04650   -0.09592   -0.05691
  1.0     1.57111    1.23427   -0.64629      -0.08099   -0.01706   -0.04284
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   96.9000      0.01270    -76.41361      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09689    1.90388   -1.05897       0.00748    0.00721    0.00607
  1.0     0.07091    3.55693   -0.45085      -0.04649   -0.09348   -0.05599
  1.0     1.56344    1.23237   -0.65045      -0.07226   -0.02099   -0.04038
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   97.0000      0.01156    -76.41247      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09761    1.90461   -1.05838       0.00690    0.00728    0.00584
  1.0     0.06627    3.54773   -0.45639      -0.04648   -0.09041   -0.05483
  1.0     1.55667    1.23006   -0.65436      -0.06301   -0.02517   -0.03778
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   97.1000      0.01045    -76.41137      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09827    1.90534   -1.05781       0.00629    0.00732    0.00558
  1.0     0.06162    3.53887   -0.46180      -0.04646   -0.08670   -0.05343
  1.0     1.55085    1.22733   -0.65800      -0.05333   -0.02955   -0.03507
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   97.2000      0.00941    -76.41032      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09887    1.90607   -1.05726       0.00565    0.00734    0.00530
  1.0     0.05697    3.53041   -0.46707      -0.04644   -0.08234   -0.05179
  1.0     1.54602    1.22415   -0.66137      -0.04331   -0.03411   -0.03226
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   97.3000      0.00845    -76.40937      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09940    1.90680   -1.05675       0.00501    0.00732    0.00500
  1.0     0.05233    3.52242   -0.47215      -0.04641   -0.07734   -0.04990
  1.0     1.54220    1.22050   -0.66445      -0.03302   -0.03880   -0.02939
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   97.4000      0.00762    -76.40853      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09987    1.90753   -1.05626       0.00435    0.00726    0.00468
  1.0     0.04769    3.51497   -0.47704      -0.04639   -0.07171   -0.04778
  1.0     1.53942    1.21638   -0.66725      -0.02259   -0.04357   -0.02648
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   97.5000      0.00692    -76.40783      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10027    1.90826   -1.05581       0.00368    0.00717    0.00435
  1.0     0.04305    3.50810   -0.48170      -0.04637   -0.06548   -0.04543
  1.0     1.53769    1.21179   -0.66975      -0.01209   -0.04837   -0.02356
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   97.6000      0.00638    -76.40729      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10061    1.90897   -1.05540       0.00302    0.00704    0.00400
  1.0     0.03842    3.50189   -0.48612      -0.04634   -0.05866   -0.04287
  1.0     1.53700    1.20671   -0.67196      -0.00165   -0.05314   -0.02064
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   97.7000      0.00601    -76.40692      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10088    1.90966   -1.05501       0.00237    0.00688    0.00365
  1.0     0.03379    3.49639   -0.49027      -0.04632   -0.05131   -0.04010
  1.0     1.53735    1.20116   -0.67388       0.00864   -0.05784   -0.01777
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   97.8000      0.00581    -76.40672      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10108    1.91034   -1.05467       0.00174    0.00667    0.00328
  1.0     0.02915    3.49164   -0.49413      -0.04630   -0.04346   -0.03715
  1.0     1.53872    1.19515   -0.67551       0.01869   -0.06241   -0.01496
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   97.9000      0.00579    -76.40670      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10122    1.91100   -1.05436       0.00113    0.00643    0.00292
  1.0     0.02453    3.48771   -0.49769      -0.04628   -0.03517   -0.03403
  1.0     1.54108    1.18868   -0.67687       0.02839   -0.06681   -0.01224
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   98.0000      0.00594    -76.40685      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10131    1.91162   -1.05408       0.00054    0.00614    0.00255
  1.0     0.01990    3.48462   -0.50093      -0.04625   -0.02651   -0.03077
  1.0     1.54438    1.18179   -0.67797       0.03767   -0.07097   -0.00963
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   98.1000      0.00625    -76.40716      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10133    1.91222   -1.05385      -0.00001    0.00582    0.00218
  1.0     0.01528    3.48242   -0.50384      -0.04621   -0.01755   -0.02739
  1.0     1.54859    1.17450   -0.67880       0.04645   -0.07487   -0.00714
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   98.2000      0.00670    -76.40762      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10131    1.91279   -1.05365      -0.00054    0.00547    0.00181
  1.0     0.01066    3.48112   -0.50641      -0.04616   -0.00835   -0.02392
  1.0     1.55365    1.16683   -0.67940       0.05466   -0.07846   -0.00478
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   98.3000      0.00729    -76.40820      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10123    1.91332   -1.05349      -0.00102    0.00509    0.00145
  1.0     0.00604    3.48075   -0.50863      -0.04609    0.00099   -0.02039
  1.0     1.55950    1.15882   -0.67976       0.06226   -0.08170   -0.00258
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   98.4000      0.00798    -76.40889      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10110    1.91380   -1.05336      -0.00146    0.00468    0.00109
  1.0     0.00144    3.48132   -0.51049      -0.04599    0.01038   -0.01682
  1.0     1.56608    1.15050   -0.67992       0.06921   -0.08458   -0.00053
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   98.5000      0.00876    -76.40967      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10094    1.91425   -1.05327      -0.00187    0.00424    0.00075
  1.0    -0.00315    3.48283   -0.51199      -0.04587    0.01976   -0.01325
  1.0     1.57332    1.14192   -0.67988       0.07547   -0.08707    0.00136
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   98.6000      0.00960    -76.41051      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10073    1.91465   -1.05321      -0.00223    0.00379    0.00042
  1.0    -0.00773    3.48527   -0.51314      -0.04570    0.02902   -0.00970
  1.0     1.58115    1.13310   -0.67965       0.08102   -0.08915    0.00308
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   98.7000      0.01047    -76.41138      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10049    1.91501   -1.05318      -0.00254    0.00332    0.00010
  1.0    -0.01229    3.48863   -0.51393      -0.04549    0.03809   -0.00621
  1.0     1.58950    1.12410   -0.67926       0.08586   -0.09081    0.00464
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   98.8000      0.01135    -76.41226      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.10022    1.91532   -1.05319      -0.00282    0.00285   -0.00020
  1.0    -0.01683    3.49288   -0.51438      -0.04523    0.04688   -0.00279
  1.0     1.59830    1.11495   -0.67873       0.08999   -0.09206    0.00603
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   98.9000      0.01221    -76.41312      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09993    1.91558   -1.05322      -0.00306    0.00237   -0.00049
  1.0    -0.02134    3.49799   -0.51449      -0.04491    0.05532    0.00052
  1.0     1.60748    1.10570   -0.67807       0.09340   -0.09288    0.00726
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   99.0000      0.01304    -76.41395      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09961    1.91579   -1.05329      -0.00325    0.00189   -0.00076
  1.0    -0.02581    3.50393   -0.51428      -0.04452    0.06334    0.00370
  1.0     1.61696    1.09639   -0.67728       0.09613   -0.09329    0.00833
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   99.1000      0.01380    -76.41471      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09928    1.91595   -1.05337      -0.00341    0.00141   -0.00101
  1.0    -0.03024    3.51064   -0.51376      -0.04406    0.07088    0.00673
  1.0     1.62668    1.08706   -0.67640       0.09818   -0.09328    0.00926
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   99.2000      0.01448    -76.41539      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09893    1.91607   -1.05349      -0.00353    0.00095   -0.00124
  1.0    -0.03462    3.51808   -0.51294      -0.04352    0.07788    0.00960
  1.0     1.63658    1.07775   -0.67544       0.09959   -0.09288    0.01004
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   99.3000      0.01506    -76.41597      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09858    1.91614   -1.05362      -0.00362    0.00049   -0.00145
  1.0    -0.03894    3.52620   -0.51184      -0.04290    0.08431    0.01229
  1.0     1.64658    1.06850   -0.67440       0.10037   -0.09210    0.01069
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   99.4000      0.01553    -76.41644      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09821    1.91617   -1.05377      -0.00368    0.00005   -0.00164
  1.0    -0.04319    3.53492   -0.51049      -0.04219    0.09012    0.01479
  1.0     1.65663    1.05934   -0.67330       0.10056   -0.09094    0.01121
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   99.5000      0.01587    -76.41679      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09784    1.91616   -1.05395      -0.00371   -0.00037   -0.00181
  1.0    -0.04737    3.54420   -0.50889      -0.04139    0.09530    0.01709
  1.0     1.66667    1.05032   -0.67216       0.10020   -0.08944    0.01160
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   99.6000      0.01609    -76.41700      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09747    1.91610   -1.05414      -0.00371   -0.00077   -0.00196
  1.0    -0.05147    3.55396   -0.50708      -0.04050    0.09982    0.01919
  1.0     1.67665    1.04146   -0.67099       0.09930   -0.08760    0.01189
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   99.7000      0.01618    -76.41709      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09710    1.91600   -1.05434      -0.00368   -0.00115   -0.00209
  1.0    -0.05547    3.56414   -0.50506      -0.03951    0.10368    0.02108
  1.0     1.68652    1.03281   -0.66979       0.09792   -0.08544    0.01208
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   99.8000      0.01613    -76.41704      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09673    1.91587   -1.05455      -0.00363   -0.00150   -0.00220
  1.0    -0.05937    3.57468   -0.50287      -0.03844    0.10687    0.02276
  1.0     1.69622    1.02439   -0.66858       0.09608   -0.08299    0.01217
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
   99.9000      0.01595    -76.41686      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09637    1.91570   -1.05478      -0.00356   -0.00184   -0.00229
  1.0    -0.06315    3.58550   -0.50051      -0.03727    0.10940    0.02424
  1.0     1.70572    1.01622   -0.66736       0.09382   -0.08027    0.01217
 ---------------------------------------------------------------------------
   TIME        KINETIC       POTENTIAL       TOTAL
               ENERGY        ENERGY          ENERGY
  100.0000      0.01565    -76.41656      -76.40091
           CARTESIAN COORDINATES (BOHR)               VELOCITY (BOHR/FS)
  8.0     0.09602    1.91550   -1.05501      -0.00348   -0.00214   -0.00237
  1.0    -0.06682    3.59653   -0.49803      -0.03600    0.11127    0.02551
  1.0     1.71497    1.00834   -0.66614       0.09116   -0.07729    0.01209
 ---------------------------------------------------------------------------
