PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
ch3opscl2r
2553 O-Methyldichlorothiophosphate (Geo)
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REF: J. H. Callomon, E. Hirota, T. Iijima, K. Kuchitsu, W. J. Lafferty, "Structure Data on Free Polyatomic Molecules," Landolt-Bornstein, New Series, Group II, Vol. 15, Springer, Berlin (1977).
PM7
O-Methyldichlorothiophosphate
<P=S> <P-Cl> <S=P-Cl> <P-O> <S=P-O> <> <O-C> <> <> <C-H> GR=CHIK1986
S 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
P 1.92200000 +1 0.0000000 +0 0.0000000 +0 1 0 0
Cl 2.01300000 +1 115.9000000 +1 0.0000000 +0 2 1 0
O 1.62800000 +1 115.2000000 +1 116.6281385 +1 2 1 3
C 1.45200000 +1 124.3290218 +1 -178.1832365 +1 4 2 1
H 1.11300000 +1 113.1846998 +1 -62.9962132 +1 5 4 2
H 1.09580844 +1 113.0934519 +1 64.9353433 +1 5 4 2
H 1.10427824 +1 98.6066454 +1 -178.8684604 +1 5 4 2
Cl 1.88554938 +1 117.6288191 +1 -121.1210065 +1 2 1 3