12
Coordinates from ORCA-job buthen E -156.111626837633
  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 -156.111662122494
  C       1.958769      0.078236     -0.000003
  H       2.490883     -0.289723      0.873842
  H       2.019280      1.161462     -0.000650
  H       2.491371     -0.290901     -0.873034
  C       0.530841     -0.393420     -0.000055
  H       0.388063     -1.464045     -0.000046
  C      -0.530827      0.393415     -0.000084
  H      -0.388074      1.464046     -0.000113
  C      -1.958746     -0.078236      0.000011
  H      -2.490955      0.290182      0.873600
  H      -2.491218      0.290434     -0.873300
  H      -2.019236     -1.161465     -0.000090
12
Coordinates from ORCA-job buthen E -156.111662714567
  C       1.958738      0.078454      0.000003
  H       2.490763     -0.290080      0.873773
  H       2.018963      1.161724     -0.000566
  H       2.491149     -0.291082     -0.873099
  C       0.530889     -0.393447     -0.000025
  H       0.388189     -1.464171      0.000020
  C      -0.530864      0.393443     -0.000064
  H      -0.388177      1.464170     -0.000139
  C      -1.958715     -0.078456      0.000014
  H      -2.490832      0.290500      0.873548
  H      -2.491017      0.290656     -0.873335
  H      -2.018935     -1.161727     -0.000051
