Back to Features of PM6
|
|
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 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 0.0000 B 1.74300000 +1 0.0000000 +0 0.0000000 +0 1 0 0 0.0000 H 1.31400000 +1 50.8158306 +1 0.0000000 +0 2 1 0 0.0000 H 1.34540921 +0 50.8158306 +0 180.0000000 +0 1 2 3 0.0000 H 1.18400000 +1 120.1029164 +1 90.0000000 +0 1 2 3 0.0000 H 1.18284682 +0 121.5000000 +1 180.0000000 +0 1 5 2 0.0000 H 1.18284682 +0 120.1029164 +0 90.0000000 +0 2 1 3 0.0000 H 1.18284682 +0 120.1029164 +0 -90.0000000 +0 2 1 3 0.0000