42 
VX molec optimized by B3LYPp2p
  O         2.29132313     1.05391238     1.51517740
  P         2.87913119     1.23826173     0.15311743
  O         3.20610198    -0.15265687    -0.63948031
  C         3.80158409    -1.25537400     0.08968021
  C         3.72583199    -2.48904178    -0.79090121
  S         1.64252665     2.26568086    -1.21608634
  C         0.01045892     1.95281107    -0.39010696
  C        -0.58937188     0.57731904    -0.72131441
  N        -1.79879795     0.35557292     0.05746764
  C        -3.01035659    -0.05704060    -0.66840817
  C        -3.61410069     1.13843041    -1.42454287
  C        -2.84724507    -1.26727056    -1.61461105
  C        -1.56242571    -0.19041502     1.40683505
  C        -2.56293681     0.37617253     2.42547494
  C        -1.49972279    -1.72942259     1.48759484
  C         4.45171292     2.16043322     0.10815194
  H         4.84510001    -1.00741641     0.32631034
  H         3.25968525    -1.39576671     1.02996737
  H         4.17995866    -3.34367798    -0.27684518
  H         2.68412093    -2.73401070    -1.02008779
  H         4.25786694    -2.32742468    -1.73367688
  H         0.16332824     2.07170774     0.68413646
  H        -0.64674503     2.75449749    -0.73772674
  H        -0.81798804     0.54674793    -1.79044109
  H         0.16913664    -0.20288526    -0.54849608
  H        -3.73358207    -0.34634555     0.10251899
  H        -2.93673979     1.49406569    -2.21122093
  H        -4.55926345     0.86178677    -1.90722561
  H        -3.80074167     1.97013773    -0.73813406
  H        -2.18780930    -1.03568563    -2.45925002
  H        -2.43579768    -2.13694114    -1.09484064
  H        -3.82008249    -1.55255833    -2.03309564
  H        -0.57170437     0.18108454     1.69511322
  H        -3.58574880     0.02903843     2.23459591
  H        -2.29628440     0.05903506     3.44039055
  H        -2.56420502     1.47018766     2.39122961
  H        -0.77736329    -2.13680939     0.77103715
  H        -1.18839848    -2.04537533     2.49044741
  H        -2.47608267    -2.18610312     1.28664391
  H         5.21305153     1.59991669     0.66037290
  H         4.78757518     2.30075738    -0.92359929
  H         4.31499977     3.13466436     0.58382800
