      58
GEOMETRY FILE / created by CPMD
  O      6.541857571874     -2.252283459328      4.682222672909              0.000000000000      0.000000000000      0.000000000000
  O      2.580179648064      0.014857606068      4.607448883819              0.000000000000      0.000000000000      0.000000000000
  O      5.197428539995      0.086663251805      5.443401804704              0.000000000000      0.000000000000      0.000000000000
  O      1.212183504778      2.258817332387      5.527025292524              0.000000000000      0.000000000000      0.000000000000
  O      6.532571399039      2.229601189673      4.649815722814              0.000000000000      0.000000000000      0.000000000000
  O      2.577575224175      4.541390722959      4.643487637832              0.000000000000      0.000000000000      0.000000000000
  O      5.274287665357      4.640994760513      5.535730470030              0.000000000000      0.000000000000      0.000000000000
  O      1.252250649465      6.789267563727      5.419895690859              0.000000000000      0.000000000000      0.000000000000
  O      6.528003976615     -2.259004027540      1.909001125978              0.000000000000      0.000000000000      0.000000000000
  O      2.611001038491     -0.001004106322      1.907999922695              0.000000000000      0.000000000000      0.000000000000
  O      5.226005286011     -0.000999583320      1.001000766827              0.000000000000      0.000000000000      0.000000000000
  O      1.306001899633      2.259999087859      1.001999694648              0.000000000000      0.000000000000      0.000000000000
  O      6.528003976615      2.261998254499      1.913001388185              0.000000000000      0.000000000000      0.000000000000
  O      2.609003351011      4.524001031999      1.915001519289              0.000000000000      0.000000000000      0.000000000000
  O      5.227000212716      4.517003948758      0.999000635723              0.000000000000      0.000000000000      0.000000000000
  O      1.311000035367      6.786998869818      0.997999432440              0.000000000000      0.000000000000      0.000000000000
  H      6.021891258723     -3.076111194926      5.020280800951              0.000000000000      0.000000000000      0.000000000000
  H      6.035360780150     -1.437993271353      4.979118845811              0.000000000000      0.000000000000      0.000000000000
  H      2.097089061151      0.821079444875      4.964492076617              0.000000000000      0.000000000000      0.000000000000
  H      3.532116566932      0.087155050815      4.930984223196              0.000000000000      0.000000000000      0.000000000000
  H      5.721377327866      0.920702913202      5.144579436941              0.000000000000      0.000000000000      0.000000000000
  H      5.159739551017      0.133454760518      6.424981863635              0.000000000000      0.000000000000      0.000000000000
  H      0.225708329614      2.260805173452      5.230571762138              0.000000000000      0.000000000000      0.000000000000
  H      1.189816979800      2.260536473313      6.509522657825              0.000000000000      0.000000000000      0.000000000000
  H      7.516469570103      2.250402912219      4.923689765940              0.000000000000      0.000000000000      0.000000000000
  H      6.539005307963      2.236705226901      3.639868440597              0.000000000000      0.000000000000      0.000000000000
  H      2.089983198128      3.717928634050      4.945200456559              0.000000000000      0.000000000000      0.000000000000
  H      2.586958765792      4.505614003559      3.634116767358              0.000000000000      0.000000000000      0.000000000000
  H      5.713418210238      3.796265028188      5.226394003486              0.000000000000      0.000000000000      0.000000000000
  H      4.322379733099      4.574964791570      5.232734332180              0.000000000000      0.000000000000      0.000000000000
  H      1.746383755751      7.592116339355      5.070329821806              0.000000000000      0.000000000000      0.000000000000
  H      1.766019872644      5.978052533038      5.106590742933              0.000000000000      0.000000000000      0.000000000000
  H      6.066998811979     -3.087998729660      1.595999949647              0.000000000000      0.000000000000      0.000000000000
  H      6.505998078061     -2.284002656547      2.907994935314              0.000000000000      0.000000000000      0.000000000000
  H      2.140004302828      0.827001867682      1.606999532987              0.000000000000      0.000000000000      0.000000000000
  H      2.603997381209      0.023999045687      2.906993732031              0.000000000000      0.000000000000      0.000000000000
  H      5.660999776251     -0.832001593483      1.341000299867              0.000000000000      0.000000000000      0.000000000000
  H      4.285995400841     -0.011999522843      1.340001372046              0.000000000000      0.000000000000      0.000000000000
  H      1.749997734636      3.092000681342      1.330000716526              0.000000000000      0.000000000000      0.000000000000
  H      0.370003057560      2.279999800265      1.349000824282              0.000000000000      0.000000000000      0.000000000000
  H      6.083005380838      1.431000767337      1.582001307382              0.000000000000      0.000000000000      0.000000000000
  H      7.463000057914      2.245000815055      1.561999996343              0.000000000000      0.000000000000      0.000000000000
  H      2.174001026702      5.354003458842      1.570000520758              0.000000000000      0.000000000000      0.000000000000
  H      3.546999880564      4.532002221562      1.571001724041              0.000000000000      0.000000000000      0.000000000000
  H      5.698000082007      3.690000271876      1.298999822147              0.000000000000      0.000000000000      0.000000000000
  H      5.231998348451      4.493999963390      0.000000000000              0.000000000000      0.000000000000      0.000000000000
  H      1.773006393964      7.616001713341      1.309000477667              0.000000000000      0.000000000000      0.000000000000
  H      1.331000412372      6.809998332185      0.000000000000              0.000000000000      0.000000000000      0.000000000000
  H      7.917051979557      0.579669908044      6.681618088335              0.000000000000      0.000000000000      0.000000000000
  H      2.180543804100     -1.315776452572      7.237168986340              0.000000000000      0.000000000000      0.000000000000
  F      8.517830848382     -0.734125555630      8.180991089573              0.000000000000      0.000000000000      0.000000000000
  F      8.479776951717      1.546599827478      8.419638466731              0.000000000000      0.000000000000      0.000000000000
  F      6.512091165791      0.385618269650      8.205199437981              0.000000000000      0.000000000000      0.000000000000
  F      2.856112950247      0.639621126849      7.538355219173              0.000000000000      0.000000000000      0.000000000000
  F      2.252024326602     -0.777083190249      9.242641501914              0.000000000000      0.000000000000      0.000000000000
  F      4.120898155882     -1.220987942695      7.983407631789              0.000000000000      0.000000000000      0.000000000000
  C      7.863855022240      0.462662744650      7.770492313638              0.000000000000      0.000000000000      0.000000000000
  C      2.787798620125     -0.729031183796      7.941304489190              0.000000000000      0.000000000000      0.000000000000
