12
Coordinates from ORCA-job buthen E -157.171244426132
  C       1.588317     -0.522851      0.000009
  H       2.243567     -0.504620     -0.881452
  H       1.054038     -1.477958     -0.000116
  H       2.243387     -0.504748      0.881607
  C       0.667822      0.665094      0.000002
  H       1.170022      1.633863      0.000011
  C      -0.667822      0.665095     -0.000005
  H      -1.170022      1.633863     -0.000008
  C      -1.588316     -0.522851     -0.000009
  H      -2.243485     -0.504680      0.881515
  H      -2.243470     -0.504689     -0.881544
  H      -1.054037     -1.477958      0.000003
12
Coordinates from ORCA-job buthen E -157.171261621241
  C       1.583157     -0.523199      0.000011
  H       2.237909     -0.507072     -0.880173
  H       1.044425     -1.475219     -0.000101
  H       2.237750     -0.507187      0.880316
  C       0.667575      0.666866      0.000005
  H       1.171012      1.634591      0.000013
  C      -0.667575      0.666867     -0.000003
  H      -1.171012      1.634592     -0.000005
  C      -1.583156     -0.523199     -0.000012
  H      -2.237839     -0.507128      0.880226
  H      -2.237821     -0.507132     -0.880263
  H      -1.044425     -1.475219     -0.000001
12
Coordinates from ORCA-job buthen E -157.171262264398
  C       1.582298     -0.523420      0.000011
  H       2.237317     -0.507755     -0.879972
  H       1.042446     -1.474540     -0.000088
  H       2.237176     -0.507859      0.880103
  C       0.667699      0.667394      0.000007
  H       1.171372      1.634960      0.000017
  C      -0.667699      0.667395     -0.000002
  H      -1.171372      1.634960     -0.000003
  C      -1.582297     -0.523420     -0.000014
  H      -2.237257     -0.507806      0.880015
  H      -2.237236     -0.507809     -0.880059
  H      -1.042446     -1.474540     -0.000004
