5
Coordinates from ORCA-job cmmd E -40.451784938188
  C       0.956890     -0.061120     -0.066380
  H       2.049080     -0.061120     -0.066380
  H       0.592820      0.288480     -1.034950
  H       0.592820      0.602900      0.720670
  H       0.592820     -1.074720      0.115150
5
Coordinates from ORCA-job cmmd E -40.451924540961
  C       0.956878     -0.061120     -0.066402
  H       2.056475     -0.061105     -0.066362
  H       0.590353      0.290846     -1.041510
  H       0.590377      0.607388      0.725999
  H       0.590347     -1.081589      0.116385
5
Coordinates from ORCA-job cmmd E -40.451924547020
  C       0.956873     -0.061122     -0.066413
  H       2.056522     -0.061098     -0.066350
  H       0.590332      0.290862     -1.041563
  H       0.590374      0.607414      0.726039
  H       0.590328     -1.081636      0.116397