       3
 i =        0, time =        0.000, E =       -17.2204289569
  O         0.4791260000        0.1826020000       -0.0186580000
  H         1.4481489682        0.1614237852        0.0230193408
  H         0.2003200465       -0.2385823801        0.8096507824
       3
 i =        1, time =        0.500, E =       -17.2203734360
  O         0.4785565703        0.1833827768       -0.0186588035
  H         1.4437651926        0.1581905332        0.0168519619
  H         0.2136348831       -0.2476057314        0.8161114560
       3
 i =        2, time =        1.000, E =       -17.2202238977
  O         0.4779384225        0.1841558758       -0.0185812327
  H         1.4399409764        0.1550124748        0.0105912612
  H         0.2269591228       -0.2563129715        0.8219888506
       3
 i =        3, time =        1.500, E =       -17.2200370707
  O         0.4772421686        0.1848997505       -0.0183867263
  H         1.4371396336        0.1519336737        0.0041359877
  H         0.2403064691       -0.2644319669        0.8267778682
       3
 i =        4, time =        2.000, E =       -17.2198789987
  O         0.4764501136        0.1855962860       -0.0180440849
  H         1.4356827304        0.1489976050       -0.0026182768
  H         0.2536473696       -0.2717451326        0.8300926623
       3
 i =        5, time =        2.500, E =       -17.2197958114
  O         0.4755594465        0.1862319577       -0.0175317586
  H         1.4357003400        0.1462497481       -0.0097752963
  H         0.2669104868       -0.2781096429        0.8316987832
       3
 i =        6, time =        3.000, E =       -17.2197957035
  O         0.4745832415        0.1867985100       -0.0168392536
  H         1.4371106965        0.1437395540       -0.0174325683
  H         0.2799885499       -0.2834696535        0.8315292006
       3
 i =        7, time =        3.500, E =       -17.2198494886
  O         0.4735490319        0.1872932763       -0.0159677945
  H         1.4396347087        0.1415209281       -0.0256747543
  H         0.2927465050       -0.2878616427        0.8296871371
       3
 i =        8, time =        4.000, E =       -17.2199074921
  O         0.4724953049        0.1877191925       -0.0149302191
  H         1.4428409227        0.1396508537       -0.0345674061
  H         0.3050310181       -0.2914132073        0.8264367690
       3
 i =        9, time =        4.500, E =       -17.2199239000
  O         0.4714666569        0.1880844440       -0.0137500082
  H         1.4462097635        0.1381862215       -0.0441523728
  H         0.3166815510       -0.2943345919        0.8221815961
       3
 i =       10, time =        5.000, E =       -17.2198781051
  O         0.4705085160        0.1884016271       -0.0124592582
  H         1.4492032016        0.1371795538       -0.0544457899
  H         0.3275430200       -0.2969015342        0.8174286168
       3
 i =       11, time =        5.500, E =       -17.2197851068
  O         0.4696621739        0.1886863122       -0.0110954446
  H         1.4513286628        0.1366743453       -0.0654390727
  H         0.3374797472       -0.2994281877        0.8127370327
       3
 i =       12, time =        6.000, E =       -17.2196906301
  O         0.4689606592        0.1889549561       -0.0096971077
  H         1.4521899382        0.1367008745       -0.0771026296
  H         0.3463892806       -0.3022301302        0.8086530854
       3
 i =       13, time =        6.500, E =       -17.2196516371
  O         0.4684256995        0.1892223629       -0.0082989649
  H         1.4515228433        0.1372728548       -0.0893909255
  H         0.3542139654       -0.3055813175        0.8056374291
       3
 i =       14, time =        7.000, E =       -17.2197091474
  O         0.4680658613        0.1894991408       -0.0069272275
  H         1.4492160835        0.1383851053       -0.1022481310
  H         0.3609479918       -0.3096718033        0.8039975542
       3
 i =       15, time =        7.500, E =       -17.2198660639
  O         0.4678758812        0.1897897163       -0.0055961247
  H         1.4453186185        0.1400124922       -0.1156137390
  H         0.3666392557       -0.3145753940        0.8038402439
       3
 i =       16, time =        8.000, E =       -17.2200824085
  O         0.4678371771        0.1900914552       -0.0043065075
  H         1.4400342725        0.1421101499       -0.1294277742
  H         0.3713855509       -0.3202361263        0.8050562996
       3
 i =       17, time =        8.500, E =       -17.2202921567
  O         0.4679195512        0.1903951684       -0.0030468478
  H         1.4337027598        0.1446151184       -0.1436355952
  H         0.3753261015       -0.3264776573        0.8073424773
       3
 i =       18, time =        9.000, E =       -17.2204334471
  O         0.4680840284        0.1906868535       -0.0017962954
  H         1.4267661245        0.1474493021       -0.1581915778
  H         0.3786302991       -0.3330325846        0.8102535977
       3
 i =       19, time =        9.500, E =       -17.2204760794
  O         0.4682868011        0.1909502271       -0.0005290900
  H         1.4197199711        0.1505239462       -0.1730615224
  H         0.3814849332       -0.3395852390        0.8132734216
       3
 i =       20, time =       10.000, E =       -17.2204322199
  O         0.4684839489        0.1911694405        0.0007807038
  H         1.4130525617        0.1537446178       -0.1882192672
  H         0.3840824271       -0.3458172700        0.8158862245
       3
 i =       21, time =       10.500, E =       -17.2203460950
  O         0.4686365152        0.1913314720        0.0021548265
  H         1.4071777463        0.1570163540       -0.2036366959
  H         0.3866103067       -0.3514488202        0.8176394951
       3
 i =       22, time =       11.000, E =       -17.2202691169
  O         0.4687151205        0.1914279351        0.0036070765
  H         1.4023727980        0.1602482721       -0.2192688730
  H         0.3892429020       -0.3562714291        0.8181918610
       3
 i =       23, time =       11.500, E =       -17.2202337166
  O         0.4687031927        0.1914562859        0.0051405358
  H         1.3987352591        0.1633567646       -0.2350389035
  H         0.3921349246       -0.3601706987        0.8173445024
       3
 i =       24, time =       12.000, E =       -17.2202389730
  O         0.4685981433        0.1914205206        0.0067459412
  H         1.3961691822        0.1662672859       -0.2508280558
  H         0.3954171580       -0.3631394734        0.8150578545
       3
 i =       25, time =       12.500, E =       -17.2202541532
  O         0.4684102323        0.1913313713        0.0084014710
  H         1.3944051319        0.1689147401       -0.2664759441
  H         0.3991943387       -0.3652818602        0.8114541710
       3
 i =       26, time =       13.000, E =       -17.2202367161
  O         0.4681594690        0.1912059285        0.0100739835
  H         1.3930483161        0.1712431272       -0.2817895441
  H         0.4035451813       -0.3668078650        0.8068065680
       3
 i =       27, time =       13.500, E =       -17.2201560476
  O         0.4678713097        0.1910665814        0.0117217466
  H         1.3916433721        0.1732050617       -0.2965582553
  H         0.4085245817       -0.3680173228        0.8015130632
       3
 i =       28, time =       14.000, E =       -17.2200121516
  O         0.4675720356        0.1909391600        0.0132985286
  H         1.3897423143        0.1747615167       -0.3105730756
  H         0.4141678280       -0.3692716273        0.7960535838
       3
 i =       29, time =       14.500, E =       -17.2198405450
  O         0.4672845446        0.1908502377        0.0147587930
  H         1.3869649324        0.1758818716       -0.3236478641
  H         0.4204960102       -0.3709525981        0.7909307311
       3
 i =       21, time =       10.500, E =       -17.2203460944
  O         0.4686365206        0.1913314699        0.0021548274
  H         1.4071776745        0.1570163815       -0.2036366763
  H         0.3866102886       -0.3514488116        0.8176394555
       3
 i =       22, time =       11.000, E =       -17.2202691230
  O         0.4687151261        0.1914279196        0.0036070835
  H         1.4023728032        0.1602483711       -0.2192687975
  H         0.3892428073       -0.3562712770        0.8181916589
       3
 i =       23, time =       11.500, E =       -17.2202337258
  O         0.4687032018        0.1914562607        0.0051405392
  H         1.3987353508        0.1633569256       -0.2350387247
  H         0.3921346970       -0.3601704481        0.8173442385
       3
 i =       24, time =       12.000, E =       -17.2202389795
  O         0.4685981620        0.1914204929        0.0067459303
  H         1.3961693357        0.1662674623       -0.2508277097
  H         0.3954167300       -0.3631391856        0.8150576277
       3
 i =       25, time =       12.500, E =       -17.2202541555
  O         0.4684102603        0.1913313414        0.0084014446
  H         1.3944053404        0.1689149452       -0.2664754408
  H         0.3991937198       -0.3652815534        0.8114540116
       3
 i =       26, time =       13.000, E =       -17.2202367145
  O         0.4681595051        0.1912058965        0.0100739411
  H         1.3930485903        0.1712433613       -0.2817888782
  H         0.4035443793       -0.3668075386        0.8068064791
       3
 i =       27, time =       13.500, E =       -17.2201560429
  O         0.4678713539        0.1910665491        0.0117216868
  H         1.3916437089        0.1732053196       -0.2965574278
  H         0.4085235964       -0.3680169986        0.8015130699
       3
 i =       28, time =       14.000, E =       -17.2200121463
  O         0.4675720876        0.1909391281        0.0132984509
  H         1.3897427142        0.1747617951       -0.3105720839
  H         0.4141666643       -0.3692713116        0.7960536930
       3
 i =       29, time =       14.500, E =       -17.2198405413
  O         0.4672846038        0.1908502062        0.0147586972
  H         1.3869653971        0.1758821685       -0.3236467040
  H         0.4204946748       -0.3709522885        0.7909309413
       3
 i =       30, time =       15.000, E =       -17.2196994480
  O         0.4670251028        0.1908237684        0.0160633703
  H         1.3830456814        0.1765443832       -0.3356390437
  H         0.4275201472       -0.3734109379        0.7865987663
