PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
naohr
1680 Sodium hydroxide (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).
PM7
Sodium hydroxide
GWT=0.25 <Na-O> <O-H> GR=CHKL1976
Na 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.93000000 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 0.97000000 +1 178.6299653 +1 0.0000000 +0 2 1 0