      46
 i =       31, E =     -1297.8721695216 (cis, OH2', 6311G++)
  C        -7.6198385960        0.1531430833        0.7584723752
  C        -8.0104069502        0.2064458680        2.2355279393
  C        -9.3540721920        0.8624010775        2.4233416317
  C        -9.2009971407        2.3082042925        1.9528104513
  C        -8.6700075374        2.3443602420        0.4993844449
  C        -8.1631331314        3.7375821541        0.1194702728
  O        -6.4094035312       -0.5056400517        0.5318064336
  O        -8.0456656923       -1.1705222338        2.7949212929
  O        -9.6516193240        0.7210962198        3.8061403177
  O       -10.4922889800        2.8906385712        2.0483539214
  O        -7.1410127581        4.1694198790        0.9935713972
  O        -7.5173218003        1.4846916180        0.3275556546
  H        -8.3642339712       -0.4160511734        0.1830665796
  H        -7.2600160947        0.7490790163        2.8155199057
  H       -10.1243715150        0.3636258836        1.8147837950
  H        -8.4818032606        2.8198647379        2.6051074509
  H        -9.4777534994        2.0294396538       -0.1779386296
  H        -7.8310563971        3.7185883485       -0.9275730737
  H        -8.9907858614        4.4521676163        0.1907614331
  H        -7.0082907732       -1.4257612504        3.0008372602
  H       -10.4878312891        1.1669206625        4.0018501705
  H       -10.4155274295        3.8411045510        2.1938044905
  H        -6.3118828722        3.7173820897        0.7545274929
  C        -2.3848722104       -0.4345612079        1.5525954181
  C        -3.3569666385       -0.7860060273        2.6851517088
  C        -4.7046704680       -1.1420712525        2.0845110813
  C        -5.2357661438       -0.0210337901        1.2062810135
  C        -4.1718340790        0.3755724215        0.1577025440
  C        -4.5530760502        1.6561252175       -0.5803830428
  O        -1.2056569361       -0.0293723185        2.1574286080
  O        -2.9611360233       -1.9134404561        3.4476551867
  O        -5.6439705836       -1.4039369279        3.1790058724
  O        -4.7153351510        2.7490288270        0.3248306958
  O        -2.9269530189        0.6531068712        0.8061882200
  H        -2.2342452236       -1.3010596860        0.8841046923
  H        -3.4532500286        0.1120457562        3.3147575610
  H        -4.6222497979       -2.0637550642        1.4960176555
  H        -5.4516421154        0.8720244603        1.8002232724
  H        -4.0634216205       -0.4454114045       -0.5693388187
  H        -3.7808437570        1.8771202116       -1.3273289120
  H        -5.5113316764        1.5204841697       -1.0826059105
  H        -0.5075832992        0.0742769653        1.4976966199
  H        -2.1179096112       -1.7214381940        3.8802680376
  H        -5.2062999676       -1.9918533999        3.8182044679
  H        -3.8500794488        2.9920015979        0.6789569462
  H        -8.5976417492       -1.1343204412        3.6061632236
