PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
hconh2r
923 Formamide (Geo)
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REF: D. R. Johnson, F. J. Lovas, W. H. Kirchhoff, J. Phys. Chem. Ref. Data, 1, 1011 (1972).
PM7
Formamide
GR=JLK1972 <C-N> <N-H> < > <C-H> < > < > <C-O> <O-C-N>
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
N 1.37600000 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.00200000 +1 123.0281878 +1 0.0000000 +0 2 1 0
H 1.10200000 +1 114.3153198 +1 -0.0020193 +1 1 2 3
O 1.19300000 +1 123.8000000 +1 179.9857905 +1 1 2 3
H 1.00089241 +1 120.7610197 +1 0.0027707 +1 2 1 5