 31
Energy    -1236.5857777127
  O      -1.7436041479     -3.6486885780      0.5378484746
  H      -1.3510393533     -4.4717771846      0.8287949759
  H      -2.6768900968     -3.8442342546      0.4543555721
  O       2.0753685158     -1.2466778924      0.3895602656
  H       2.9336049173     -0.8548809869      0.5512924607
  H       2.2143657814     -2.1863111026      0.5078862112
  O       2.0092820872      1.6944060865     -0.0223602768
  H       2.1086188052      2.6389485439     -0.1415391401
  H       2.8804471534      1.3919560158      0.2342078835
  O      -2.1612076934      0.6232588561     -0.9783621370
  H      -2.7808118061      0.1901353081     -1.5654963419
  H      -2.6717838099      1.3160851428     -0.5593924427
  O      -0.9096578077     -1.2248166851      1.6102035366
  H      -1.2582003443     -2.0962367413      1.4221157251
  H      -1.1017022429     -1.0845172533      2.5373857426
  O       4.3100470114      0.3523899344      0.7365293461
  H       4.6932657722      0.4770410112      1.6047674064
  H       5.0630427681      0.2782830947      0.1502381169
  O      -3.2268373645      2.6538263938      0.5752395837
  H      -3.3812473252      3.5242737550      0.2082098925
  H      -3.9818261571      2.4948740177      1.1417710515
  O      -0.6767387384      1.8843742030      1.3363558994
  H      -0.2914619295      2.3946287863      2.0486998329
  H      -1.5545014763      2.2500706955      1.2266723078
  O      -0.4530165157     -2.0199272796     -1.3043141013
  H      -0.9203648276     -2.7019539288     -0.8219687437
  H      -0.2667382634     -2.4135867289     -2.1567016244
  O       0.5675542424      0.7234451068     -2.5221115133
  H       1.4151293404      0.9186163942     -2.9218069732
  H      -0.0711233254      0.9118515858     -3.2097348127
  X       0.1085045748      0.1050322875     -0.1819295586
