       46
  i =        6, E =     -1297.3938365802 (6-311G**)
  C         0.8554446238        0.6185643837       -0.2212175300
  C         1.8371279083        1.7321513027        0.1315603781
  C         3.2227342499        1.3271312998       -0.3725174837
  C         3.6113709120       -0.0240962719        0.2371225051
  C         2.5318333518       -1.0682015698       -0.0915181896
  C         2.7918386271       -2.4393235393        0.5458568462
  O        -0.4274073857        0.9951317856        0.2964701635
  O         1.3785758401        2.9332511913       -0.4576230257
  O         4.1039615317        2.3775569519        0.0031822831
  O         4.8495239921       -0.4897348806       -0.2904411688
  O         3.7808329935       -3.1436509489       -0.1636604860
  O         1.2579407957       -0.5746800443        0.4090060313
  H         0.7750919826        0.4872225385       -1.3138731506
  H         1.8705186123        1.8095190470        1.2319731685
  H         3.1861807694        1.2194346460       -1.4693414908
  H         3.6635530772        0.0841296128        1.3323124454
  H         2.4717279920       -1.2105318785       -1.1822221391
  H         1.8717795702       -3.0352013963        0.4898597660
  H         3.0321419154       -2.3048282563        1.6155138273
  H         2.1285100459        3.5509578013       -0.4409866246
  H         4.8527802123        2.3896992697       -0.6088676671
  H         5.5687129826       -0.0608972206        0.1944169524
  H         4.5721434023       -2.5827551995       -0.1970911568
  C        -4.3510913682       -0.6080224553        0.2847307618
  C        -3.2536388115       -1.5768803924       -0.1720275319
  C        -1.8467430067       -1.0837798282        0.2252899580
  C        -1.6400714656        0.3523038268       -0.2579861109
  C        -2.8188001368        1.2229891744        0.2244122292
  C        -2.7525883109        2.6546119803       -0.3040975037
  O        -5.6126999225       -0.9415382877       -0.1220316080
  O        -3.5131840265       -2.8294573205        0.4034743577
  O        -0.9474056575       -1.9949309602       -0.3656011668
  O        -1.3938509473        3.2052766923       -0.0162575720
  O        -4.0245496793        0.7068262166       -0.2670319234
  H        -4.3737141474       -0.5338188015        1.3824854311
  H        -3.2844856743       -1.6113062535       -1.2786933367
  H        -1.7783166567       -1.0937949703        1.3262729458
  H        -1.5696127792        0.3692569471       -1.3543583837
  H        -2.7970671419        1.2418289981        1.3303752071
  H        -3.4951792275        3.3094296512        0.1554552135
  H        -2.8483269923        2.6832986626       -1.3911461389
  H        -5.5902362899       -1.3037202762       -1.0205918198
  H        -2.7773991849       -3.4137160683        0.1624313024
  H        -0.0705509897       -1.8258467895        0.0214513906
  H        -0.7305822630        2.3530893531        0.1227142403
  H        -1.3650847544        3.7991136845        0.7539392883
