PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
chochor
1053 trans Glyoxal (Geo)
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REF: K. Kuchitsu, T. Fukuyama, Y. Marino, J. Mol. Struct., 1, 463 (1968).
SYMMETRY PM7
trans Glyoxal
GR=KFM1968 <C-O> <C-C> <C-C-O>
O 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.20700000 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.52500000 +1 121.2000000 +1 0.0000000 +0 2 1 0
O 1.20700000 +0 121.2000000 +0 180.0000000 +0 3 2 1
H 1.09629390 +1 116.7532615 +1 180.0000000 +0 3 2 4
H 1.09629390 +0 116.7532615 +0 180.0000000 +0 2 3 5