PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
ch2chchor
751 Acrolein (Geo)
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REF: K. Kuchitsu, T. Fukuyama, Y. Marino, J. Mol. Struct., 1, 463 (1968).
PM7
Acrolein
GR=KFM1968 <C3-C2> <C2-C1> <C-C-C> <C-O> <O-C-C>
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.33500000 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.47800000 +1 121.0000000 +1 0.0000000 +0 2 1 0
O 1.20800000 +1 124.0000000 +1 0.0000000 +0 3 2 1
H 1.10158147 +1 116.6563380 +1 180.0000000 +0 3 2 1
H 1.08654260 +1 122.9075729 +1 180.0000000 +0 2 1 3
H 1.08118699 +1 123.8075793 +1 180.0000000 +0 1 2 3
H 1.08662905 +1 122.6911413 +1 0.0000000 +0 1 2 3