PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
ch3shr
2063 Thiomethanol (Geo)
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REF: R. W. Kilb, J. Chem. Phys., 23, 1736 (1955).
GNORM=500 PM7
Thiomethanol
GR=RWK1955 <C-S> <S-H> <H-S-C> < > < > <H-C-S-H>
S 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.81800000 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.32900000 +1 100.3000000 +1 0.0000000 +0 1 2 0
H 1.09604200 +1 107.0602170 +1 180.0000000 +1 2 1 3
H 1.09419500 +1 112.7686090 +1 -61.3289380 +1 2 1 3
H 1.09421100 +1 112.7487010 +1 61.2924940 +1 2 1 3