PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
csno3r
6282 Cesium nitrate (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).
RELSCF=0.1 SYMMETRY PM7
Cesium nitrate
<Cs-O> <O-Cs-O> <Cs-N> <N-O> GR=CHIK1986 GWT=0.333
Cs 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 2.80000000 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 2.80000000 +0 45.0000000 +1 0.0000000 +0 1 2 0
N 3.24000000 +1 22.5000000 +0 0.0000000 +0 1 2 3
O 1.25200000 +1 180.0000000 +0 0.0000000 +0 4 1 2