12
Coordinates from ORCA-job buthen E -156.107644606803
  C       1.960202      0.078050     -0.000043
  H       2.493898     -0.289698      0.876086
  H       2.021499      1.163491     -0.000828
  H       2.494421     -0.291208     -0.875233
  C       0.530758     -0.393439      0.000060
  H       0.387212     -1.466510     -0.000049
  C      -0.530832      0.393429     -0.000003
  H      -0.387355      1.466495      0.000044
  C      -1.960158     -0.078037     -0.000031
  H      -2.493922      0.290221      0.875829
  H      -2.494218      0.290673     -0.875561
  H      -2.021354     -1.163483     -0.000192
12
Coordinates from ORCA-job buthen E -156.107688546785
  C       1.957503      0.078146     -0.000003
  H       2.489801     -0.289874      0.873667
  H       2.018378      1.161411     -0.000651
  H       2.490291     -0.291054     -0.872857
  C       0.530852     -0.393507     -0.000056
  H       0.388445     -1.464055     -0.000046
  C      -0.530838      0.393502     -0.000084
  H      -0.388457      1.464056     -0.000113
  C      -1.957480     -0.078146      0.000011
  H      -2.489874      0.290333      0.873425
  H      -2.490137      0.290586     -0.873123
  H      -2.018332     -1.161414     -0.000090
12
Coordinates from ORCA-job buthen E -156.107689241019
  C       1.957272      0.078384      0.000003
  H       2.489709     -0.290251      0.873507
  H       2.018233      1.161683     -0.000566
  H       2.490096     -0.291254     -0.872832
  C       0.530935     -0.393537     -0.000026
  H       0.388710     -1.464199      0.000019
  C      -0.530909      0.393533     -0.000064
  H      -0.388699      1.464198     -0.000139
  C      -1.957250     -0.078386      0.000014
  H      -2.489778      0.290671      0.873281
  H      -2.489964      0.290828     -0.873067
  H      -2.018205     -1.161686     -0.000051
