12
Coordinates from ORCA-job buthen E -157.172756182830
  C      -1.960720     -0.079245      0.000000
  H      -2.500706      0.290014      0.882484
  H      -2.018945     -1.174085     -0.000553
  H      -2.500999      0.290936     -0.881912
  C      -0.535992      0.395999      0.000021
  H      -0.389679      1.478877      0.000084
  C       0.535991     -0.395997     -0.000034
  H       0.389676     -1.478874     -0.000135
  C       1.960720      0.079243      0.000007
  H       2.500796     -0.290414      0.882267
  H       2.500908     -0.290541     -0.882130
  H       2.018949      1.174083     -0.000063
12
Coordinates from ORCA-job buthen E -157.172770277078
  C      -1.957846     -0.079199      0.000010
  H      -2.498826      0.290002      0.880291
  H      -2.012695     -1.173326     -0.000237
  H      -2.498868      0.290400     -0.880078
  C      -0.535132      0.397019      0.000074
  H      -0.386185      1.479189      0.000239
  C       0.535131     -0.397023     -0.000060
  H       0.386193     -1.479195     -0.000224
  C       1.957844      0.079199     -0.000004
  H       2.498846     -0.290291      0.880141
  H       2.498848     -0.290105     -0.880226
  H       2.012690      1.173325      0.000110
12
Coordinates from ORCA-job buthen E -157.172770281440
  C      -1.957877     -0.079198      0.000009
  H      -2.498863      0.290030      0.880283
  H      -2.012756     -1.173331     -0.000200
  H      -2.498899      0.290370     -0.880100
  C      -0.535137      0.397018      0.000066
  H      -0.386226      1.479195      0.000225
  C       0.535136     -0.397019     -0.000059
  H       0.386226     -1.479195     -0.000217
  C       1.957877      0.079197     -0.000003
  H       2.498889     -0.290333      0.880128
  H       2.498873     -0.290070     -0.880255
  H       2.012756      1.173330      0.000159
