PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
ch3spocl2r
2554 S-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
S-Methyldichlorothiophosphate
<P=O> <P-Cl> <O=P-Cl> <P-S> <O=P-S> <> <S-C> <> <> <C-H> GR=CHIK1986
O 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
P 1.44500000 +1 0.0000000 +0 0.0000000 +0 1 0 0
Cl 2.02100000 +1 115.0000000 +1 0.0000000 +0 2 1 0
S 2.09700000 +1 115.0000000 +1 120.4816730 +1 2 1 3
C 1.83000000 +1 106.4715356 +1 -179.6665284 +1 4 2 1
H 1.14000000 +1 113.6505357 +1 -64.2673560 +1 5 4 2
H 1.09682511 +1 114.4539750 +1 60.1399255 +1 5 4 2
H 1.09781209 +1 106.3613239 +1 178.5740616 +1 5 4 2
Cl 1.88449137 +1 112.1023889 +1 -114.7609909 +1 2 1 3