PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
sef2or
4067 Selenyl fluoride (Geo)
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REF: J. H. Callomon, E. Hirota, K. Kuchitsu, W. J. Lafferty, A. G. Maki, C. S. Pote, "Structure Data on Free Polyatomic Molecules," Landolt-Bornstein, New Series, Group II, Vol. 7, Springer, Berlin (1976).
PULAY PM7
Selenyl fluoride
<Se-O> <Se-F> <F-Se-O> <> <F-Se-F> GR=CHKL1976
O 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Se 1.57600000 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 1.73000000 +1 104.8000000 +1 0.0000000 +0 2 1 0
F 1.71982786 +1 92.2000000 +1 100.3149795 +1 2 3 1