       46
  i =        2, E =      -257.1555187861 (cisH+, OH2', TZV2P)
  C        -7.6319630353        0.1556027067        0.7429118974
  C        -8.0239830305        0.2031053730        2.2235072892
  C        -9.3742845362        0.8512723193        2.4218202255
  C        -9.2307450183        2.3133179714        1.9703831141
  C        -8.6998873052        2.3788099407        0.5100067647
  C        -8.1874258119        3.7833191246        0.1470907956
  O        -6.4086144041       -0.5148304194        0.5017842164
  O        -8.0622673250       -1.2149697312        2.7838843154
  O        -9.6725552308        0.6823480815        3.8270899316
  O       -10.5507036648        2.8886230060        2.0710910202
  O        -7.1310623929        4.2045920383        1.0216906919
  O        -7.5233488523        1.5102046040        0.3133159383
  H        -8.3774049278       -0.4102281923        0.1596725091
  H        -7.2680861307        0.7324495062        2.8135745768
  H       -10.1468530048        0.3555683950        1.8075201944
  H        -8.5171729243        2.8276728351        2.6316392570
  H        -9.5065101101        2.0686705056       -0.1757987045
  H        -7.8730999425        3.7837848649       -0.9088269893
  H        -9.0090074894        4.5056843665        0.2494071999
  H        -6.9962690423       -1.4360050717        3.0212465331
  H       -10.5253282439        1.1216146470        4.0142033901
  H       -10.4679133698        3.8513274348        2.1981826963
  H        -6.3135608559        3.7245756329        0.7566672233
  C        -2.3512878920       -0.4511451941        1.5623494359
  C        -3.3391059231       -0.7868026861        2.6947382180
  C        -4.6950851304       -1.1304989893        2.0926227433
  C        -5.2202256867       -0.0154598218        1.1955715061
  C        -4.1480521511        0.3669431619        0.1375602843
  C        -4.5299848867        1.6362717004       -0.6349428145
  O        -1.1584932398       -0.0417927127        2.1788824000
  O        -2.9567663720       -1.9368399871        3.4763172935
  O        -5.6445368095       -1.3608731081        3.2300819090
  O        -4.6854161388        2.7796007983        0.2438864230
  O        -2.8874037722        0.6612433730        0.7981297272
  H        -2.2017495674       -1.3212362670        0.8940134186
  H        -3.4261074594        0.1141388237        3.3251418750
  H        -4.6353054744       -2.0703853483        1.5252092090
  H        -5.4417536234        0.8890564425        1.7742299388
  H        -4.0314226784       -0.4697366300       -0.5754668829
  H        -3.7635481687        1.8323705266       -1.3987422893
  H        -5.4969585726        1.4913210802       -1.1239325216
  H        -0.4521150922        0.0239094555        1.5085491052
  H        -2.1094958500       -1.7369636219        3.9192241889
  H        -5.2026400713       -1.9852189044        3.8459186282
  H        -3.8077479131        3.0038881586        0.6064811887
  H        -8.6144814889       -1.1504712904        3.6057855573
