      46
 i =        2, E =     -1297.8760868788 (cis, OH1, 6311G++)
  C        -7.5958110286        0.0999756659        0.7631318910
  C        -8.0318283491        0.1033567658        2.2384506707
  C        -9.1251565582        1.1469228019        2.4516748772
  C        -8.5904885168        2.5141538252        2.0361273896
  C        -8.1465281007        2.4743977234        0.5686920546
  C        -7.4309671216        3.7415883357        0.1253535102
  O        -6.4887776351       -0.7310042493        0.5100327797
  O        -8.5344256276       -1.1586559014        2.6155699525
  O        -9.4973700376        1.2544305122        3.8150527691
  O        -9.5516145527        3.5452526547        2.1442397600
  O        -6.1349990038        3.8755234312        0.7775274780
  O        -7.2181833925        1.4126003554        0.3327644453
  H        -8.4018172855       -0.3012598007        0.1362943132
  H        -7.1764234846        0.3773536030        2.8719231316
  H       -10.0020047400        0.8944290735        1.8333368754
  H        -7.7207096239        2.7289289172        2.6821835585
  H        -9.0435236644        2.3546218217       -0.0585412456
  H        -7.2125950784        3.7025900394       -0.9435410151
  H        -8.0403339301        4.6221157115        0.3396230607
  H        -7.7697746260       -1.7388651859        2.7550675438
  H        -9.8024424397        0.3882658495        4.1179332550
  H        -9.9996974697        3.4538781530        2.9971799370
  H        -6.2333975441        4.2649291653        1.6557462420
  C        -2.5412846616       -0.0811622675        1.6871965259
  C        -3.4674636135       -0.7660350849        2.7314564468
  C        -4.6965054382       -1.3835866388        2.0569308105
  C        -5.2598236730       -0.3338144354        1.1059474214
  C        -4.2507771920       -0.1137185004       -0.0406029766
  C        -4.3939279533        1.2339315387       -0.7316838267
  O        -2.5546070721        1.3634839298        1.9379158875
  O        -2.8068141116       -1.8216789352        3.4111876247
  O        -5.6788690076       -1.7147755142        3.0271251782
  O        -4.2097367754        2.3570363208        0.2186479629
  O        -2.8814020570       -0.3360474916        0.3593834864
  H        -1.5204120274       -0.4500210790        1.8046111943
  H        -3.8166740618       -0.0012401388        3.4376773320
  H        -4.3912396609       -2.2758873826        1.4928066979
  H        -5.4030126392        0.5947662033        1.6701045564
  H        -4.4528338302       -0.8775667605       -0.7989573685
  H        -3.6267239901        1.3604736704       -1.4962242678
  H        -5.3934679177        1.3471427498       -1.1478611970
  H        -1.6671705352        1.7185664539        1.7856115080
  H        -2.3148977760       -1.4813291242        4.1681636849
  H        -5.2970877061       -2.3736439936        3.6235364398
  H        -5.0565840241        2.9094865080        0.4947809870
  H        -3.5762230053        2.1000083178        0.9717131670
