PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
brf2psr
4178 Thiophosphoryl monobromide difluoride (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
Thiophosphoryl monobromide difluoride
<P=S> <P-F> <F-P-S> <P-Br> <Br-P=S> GR=CHIK1986
P 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
S 1.88100000 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 1.54300000 +1 118.2000000 +1 0.0000000 +0 1 2 0
Br 2.15500000 +1 118.2000000 +1 123.4549976 +1 1 2 3
F 1.55384320 +1 119.9611494 +1 -112.9022586 +1 1 2 3