      46
 i =        3, E =      -257.1266023115 (TZV2P, min3,32A)
  C         0.9169373768        0.6437213930       -0.2325381716
  C         1.8973417415        1.7685933149        0.1058010896
  C         3.3016146748        1.3297219989       -0.3568172387
  C         3.6684831812       -0.0268535358        0.2711145196
  C         2.5929162727       -1.0781117656       -0.0676492572
  C         2.8230446649       -2.4456832836        0.6051660979
  O        -0.4290210231        1.0109639468        0.3215606067
  O         1.4485306413        2.9593095008       -0.5564003735
  O         4.2038439566        2.3810235254        0.0596513252
  O         4.9295754036       -0.5140361338       -0.2467812149
  O         3.7678736858       -3.2264035540       -0.1365484925
  O         1.2819956803       -0.5549634188        0.4187006957
  H         0.7925911465        0.5114941096       -1.3204684273
  H         1.9100131184        1.8978018476        1.2029823138
  H         3.3055744126        1.2328309481       -1.4551982665
  H         3.7176649026        0.0875419140        1.3664324859
  H         2.5326030797       -1.2334274946       -1.1572927472
  H         1.8839964594       -3.0153565896        0.5997969877
  H         3.1279410409       -2.3018627649        1.6566495173
  H         2.1680762422        3.6179398724       -0.4829586297
  H         4.9290589599        2.4475711268       -0.5877112290
  H         5.6506597610       -0.0819567565        0.2472674665
  H         4.6081808314       -2.7273089319       -0.1688481002
  C        -4.4186078387       -0.6336526890        0.2668014013
  C        -3.3031770544       -1.6229785800       -0.1229363867
  C        -1.8865105868       -1.0838070752        0.2377890995
  C        -1.7158134669        0.3403946888       -0.2844086654
  C        -2.8912752548        1.2417909596        0.1608744322
  C        -2.7975493557        2.6675625226       -0.3941809708
  O        -5.6902738076       -0.9979589798       -0.1408299879
  O        -3.5490312251       -2.8475850656        0.5688583634
  O        -0.9629894048       -2.0091088720       -0.3560978256
  O        -1.4559420590        3.2183033417       -0.0546748193
  O        -4.0864941742        0.6728221608       -0.3684871495
  H        -4.4625794397       -0.4880344531        1.3574517103
  H        -3.3379125514       -1.7588555671       -1.2211479331
  H        -1.7962115687       -1.0782638143        1.3376611585
  H        -1.5762180512        0.3610561639       -1.3725143228
  H        -2.9117578939        1.2772149155        1.2676141682
  H        -3.5871787695        3.3056180080        0.0151322791
  H        -2.8589479314        2.6653873333       -1.4877906579
  H        -5.6602574502       -1.4060764757       -1.0281118225
  H        -2.8649232208       -3.4899449141        0.2974291037
  H        -0.0757066080       -1.8142842482        0.0154675658
  H        -0.6557483834        2.0814030163        0.1911845939
  H        -1.5160353287        3.8459755390        0.6901341844
