       6
 i =       27, E =       -34.4982435415
  O        13.5591764011       15.3193932847       15.0000000000
  H        13.1139767142       14.4600243117       14.9999999994
  H        14.5113531756       15.1035918089       14.9999999999
  O        16.5212795101       15.0808367316       15.0000000000
  H        16.7761979468       15.6175362538       14.2334346318
  H        16.7761979466       15.6175362536       15.7665653684
