      12
 i =        3, time =        1.500, E =       -29.8906752448
  C         2.0778358680        1.4890620268        0.6438029930
  C         1.4520989494        0.9279502458        1.9114773873
  H         3.1228216977        1.2748285823        0.6452762515
  H         1.9495225208        2.6210765879        0.6311041781
  H         0.3928300687        1.1708589723        1.8650775645
  H         1.5533182038        4.6415694465        1.8731612522
  C         5.6346535443        3.3327409591        0.6291676314
  C         5.0206212435        3.9064099957        1.8963083858
  H         6.7177023807        3.5503108517        0.6476359899
  H         5.5027284976        2.2663540774        0.6312109879
  H         3.9625148199        3.6568366460        1.8832727659
  H         5.1197693099        0.1966452222        1.8964230032
      12
 i =        4, time =        2.000, E =       -29.9283613503
  C         2.0690883493        1.4821787135        0.6454859014
  C         1.4472840117        0.9300988411        1.9098963906
  H         3.1425794641        1.2775818211        0.6473488406
  H         1.9407405860        2.6511009333        0.6286358606
  H         0.3581243269        1.1719647283        1.8484056859
  H         1.5400521061        4.5984698247        1.8590037065
  C         5.6220808465        3.3263757001        0.6260011556
  C         5.0152694570        3.8945410235        1.8897572119
  H         6.7403564242        3.5334872676        0.6504368159
  H         5.4875344772        2.2361821412        0.6287517686
  H         3.9274780180        3.6437472537        1.8725044001
  H         5.1051004625        0.2303117415        1.8898674943
