# Re3 P3 (CO)9 H2
  1.00000  1.00000  1.00000 90.00000 90.00000 90.00000
 1  1   .500000 1.000000
# D3h (H are excluded)
RE  1  1   .00000  1.68193   .00000
RE  2  1  1.45659  -.84097   .00000
 P  3  1 -2.38134  1.37487   .00000
 P  4  1  2.38134  1.37487   .00000
 C  5  1   .00000  1.73078  1.93875
 O  6  1   .00000  1.83962  3.13018
 C  7  1   .00000  1.73078 -1.93875
 O  8  1   .00000  1.83962 -3.13018
 C  9  1  3.11786 -1.80010   .00000
 O 10  1  4.11410 -2.37528   .00000
 C 11  1  1.49890  -.86539  1.93875
 O 12  1  1.59316  -.91981  3.13018
 C 13  1   .00000  3.60019   .00000
 O 14  1   .00000  4.75055   .00000
RE 48  1 -1.45659  -.84097   .00000
 P 49  1   .00000 -2.74973   .00000
 C 50  1  1.49890  -.86539 -1.93875
 C 52  1 -1.49890  -.86539 -1.93875
 C 53  1 -1.49890  -.86539  1.93875
 C 54  1 -3.11786 -1.80010   .00000
 O 57  1  1.59316  -.91981 -3.13018
 O 60  1 -1.59316  -.91981 -3.13018
 O 61  1 -1.59316  -.91981  3.13018
 O 62  1 -4.11410 -2.37528   .00000
 H 15 -1 -3.08135  1.77902 -1.14309
 H 16 -1 -3.08135  1.77902  1.14309
# C2v (H are included)
RE  1  2   .00000  1.68193   .00000
RE  2  2  1.45659  -.84097   .00000
 P  3  2 -2.38134  1.37487   .00000
 P  4  2  2.38134  1.37487   .00000
 C  5  2   .00000  1.73078  1.93875
 O  6  2   .00000  1.83962  3.13018
 C  7  2   .00000  1.73078 -1.93875
 O  8  2   .00000  1.83962 -3.13018
 C  9  2  3.11786 -1.80010   .00000
 O 10  2  4.11410 -2.37528   .00000
 C 11  2  1.49890  -.86539  1.93875
 O 12  2  1.59316  -.91981  3.13018
 C 13  2   .00000  3.60019   .00000
 O 14  2   .00000  4.75055   .00000
RE 48  2 -1.45659  -.84097   .00000
 P 49  2   .00000 -2.74973   .00000
 C 50  2  1.49890  -.86539 -1.93875
 C 52  2 -1.49890  -.86539 -1.93875
 C 53  2 -1.49890  -.86539  1.93875
 C 54  2 -3.11786 -1.80010   .00000
 O 57  2  1.59316  -.91981 -3.13018
 O 60  2 -1.59316  -.91981 -3.13018
 O 61  2 -1.59316  -.91981  3.13018
 O 62  2 -4.11410 -2.37528   .00000
 H 15  2 -3.08135  1.77902 -1.14309
 H 16  2 -3.08135  1.77902  1.14309