PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
hcoohr
1052 Formic acid (Geo)
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REF: G. H. Kwei, R. F. Curl, J. Chem. Phys., 32, 1592 (1960).
PM7
Formic acid
GR=KC1960 <C=O> <C-O> <O-C-O> <O-H> <H-O-C> <C-H> <H-C-O>
O 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.20200000 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.34300000 +1 124.9000000 +1 0.0000000 +0 2 1 0
H 0.97200000 +1 106.3000000 +1 0.0000000 +0 3 2 1
H 1.09700000 +1 124.1000000 +1 180.0000000 +0 2 1 3