PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
kbo2r
2672 KBO2 (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
KBO2
<K-O> <O-B> <K-O-B> GR=CHIK1986
K 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 2.42400000 +1 0.0000000 +0 0.0000000 +0 1 0 0
XX 1.00000000 +0 90.0000000 +0 0.0000000 +0 2 1 0
B 1.26700000 +1 107.0000000 +1 0.0000000 +0 2 1 3
O 1.21400255 +1 176.3211349 +1 4.0313871 +1 4 2 1