PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
b2h6r
34 Diborane (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).
SYMMETRY PM7
Diborane
<B-B> <B-H(b)> < > <B-H(t)> <> <H(t)-B-H(t)> GR=CHIK1986
B 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
B 1.74300000 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.31400000 +1 53.2270449 +1 0.0000000 +0 2 1 0
H 1.31400000 +0 53.2270449 +0 180.0000000 +0 1 2 3
H 1.18400000 +1 126.8107384 +1 90.0000000 +0 1 2 3
H 1.18400000 +0 121.5000000 +1 180.0000000 +0 1 5 2
H 1.18400000 +0 126.8107384 +0 90.0000000 +0 2 1 3
H 1.18400000 +0 126.8107384 +0 -90.0000000 +0 2 1 3