      68
GEOMETRY FILE / created by CPMD
  O      6.519073951562     -2.335581168846      4.616531027564              0.000000000000      0.000000000000      0.000000000000
  O      2.573673114135      0.008353759529      4.628055152154              0.000000000000      0.000000000000      0.000000000000
  O      5.230589208123     -0.049454852815      5.365598765492              0.000000000000      0.000000000000      0.000000000000
  O      1.189869186439      2.250738142222      5.476594468778              0.000000000000      0.000000000000      0.000000000000
  O      6.470044710514      2.176207590629      4.619186514073              0.000000000000      0.000000000000      0.000000000000
  O      2.569732354853      4.495651132551      4.625140126779              0.000000000000      0.000000000000      0.000000000000
  O      5.213770707288      4.518391556018      5.352167749606              0.000000000000      0.000000000000      0.000000000000
  O      1.180954123622      6.788193813988      5.243000282276              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      5.985798482846     -3.161704701604      4.899628234861              0.000000000000      0.000000000000      0.000000000000
  H      6.009810214311     -1.517875826741      4.911983106254              0.000000000000      0.000000000000      0.000000000000
  H      2.095697366162      0.816148722168      4.989441463981              0.000000000000      0.000000000000      0.000000000000
  H      3.524458032417      0.051719275555      4.951976413985              0.000000000000      0.000000000000      0.000000000000
  H      5.744686813238      0.796379870016      5.093797752629              0.000000000000      0.000000000000      0.000000000000
  H      5.244750973666     -0.079179375036      6.348012703307              0.000000000000      0.000000000000      0.000000000000
  H      0.210955555985      2.218049905537      5.170661438398              0.000000000000      0.000000000000      0.000000000000
  H      1.147429358772      2.315011507896      6.456743585355              0.000000000000      0.000000000000      0.000000000000
  H      7.466343201814      2.214506574866      4.873757824824              0.000000000000      0.000000000000      0.000000000000
  H      6.481041981575      2.190788876226      3.607290557598              0.000000000000      0.000000000000      0.000000000000
  H      2.053806562405      3.683780126098      4.922448828648              0.000000000000      0.000000000000      0.000000000000
  H      2.573885217121      4.469241849716      3.615201864876              0.000000000000      0.000000000000      0.000000000000
  H      5.658641121820      3.680410974356      5.019538876887              0.000000000000      0.000000000000      0.000000000000
  H      4.243432779367      4.463468450505      5.083248732598              0.000000000000      0.000000000000      0.000000000000
  H      1.718654137067      7.607957430478      5.020540223657              0.000000000000      0.000000000000      0.000000000000
  H      1.710026500848      5.983458943636      4.956274407322              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      1.445454409083      5.921292597195      7.164047735911              0.000000000000      0.000000000000      0.000000000000
  H      5.003549182361      5.427715232463      7.368646017936              0.000000000000      0.000000000000      0.000000000000
  H      5.674108071381      2.532599706660      6.926358858739              0.000000000000      0.000000000000      0.000000000000
  H      8.096406507633      4.053171935396      9.103149767682              0.000000000000      0.000000000000      0.000000000000
  F      0.455429342173      5.690344780200      8.976455675043              0.000000000000      0.000000000000      0.000000000000
  F     -0.188625693298      4.653850943261      7.031685769106              0.000000000000      0.000000000000      0.000000000000
  F      1.784257949792      4.055139613304      8.036216152237              0.000000000000      0.000000000000      0.000000000000
  F      3.702174926023      6.893385806904      6.699151283329              0.000000000000      0.000000000000      0.000000000000
  F      3.819026652086      6.230069442438      8.883586964406              0.000000000000      0.000000000000      0.000000000000
  F      5.594875849489      7.342582713912      7.926247077884              0.000000000000      0.000000000000      0.000000000000
  F      4.966076138791      1.073570305465      8.228525039026              0.000000000000      0.000000000000      0.000000000000
  F      4.606847839081      3.330182852609      8.511906708466              0.000000000000      0.000000000000      0.000000000000
  F      3.632510200750      2.222220279074      6.759748642129              0.000000000000      0.000000000000      0.000000000000
  F      8.536103249778      5.958012413279      8.399111057944              0.000000000000      0.000000000000      0.000000000000
  F      9.516765649089      4.040672071807      7.594638421916              0.000000000000      0.000000000000      0.000000000000
  F      7.282109281771      4.427484635331      7.230489779501              0.000000000000      0.000000000000      0.000000000000
  C      0.932160439973      5.153406551762      7.753208119378              0.000000000000      0.000000000000      0.000000000000
  C      4.570282936654      6.379127734868      7.696456547375              0.000000000000      0.000000000000      0.000000000000
  C      4.801598599504      2.313454525551      7.550423104465              0.000000000000      0.000000000000      0.000000000000
  C      8.342058227975      4.566393245505      8.162525811534              0.000000000000      0.000000000000      0.000000000000
