PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
mn(co)5hr
3257 Mn(CO)5H (Geo)
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REF: S. J. LaPlaca, W. C. Hamilton, J. A. Ibers, and A. Davidson, Inorg. Chem., 8, 1938 (1969).
SYMMETRY PM7
Mn(CO)5H
<Mn-H> <Mn-C(eq)> <H-Mn-C(eq)> <Mn-C(ax)> GR=LHID69
Mn 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
H 1.57600000 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.85600000 +1 85.5000000 +1 0.0000000 +0 1 2 0
C 1.85600000 +0 85.5000000 +0 90.0000000 +0 1 2 3
C 1.85600000 +0 85.5000000 +0 180.0000000 +0 1 2 3
C 1.85600000 +0 85.5000000 +0 -90.0000000 +0 1 2 3
C 1.85400000 +1 180.0000000 +0 0.0000000 +0 1 2 3
O 1.15400000 +0 180.0000000 +0 0.0000000 +0 3 1 2
O 1.15400000 +0 180.0000000 +0 0.0000000 +0 4 1 2
O 1.15400000 +0 180.0000000 +0 0.0000000 +0 5 1 2
O 1.15400000 +0 180.0000000 +0 0.0000000 +0 6 1 2
O 1.15081695 +1 180.0000000 +0 0.0000000 +0 7 1 4