Back to Features of PM6
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REF: L. A. Curtiss, J. A. Pople, J. Chem. Phys., 90, 4314 (1989).
SYMMETRY B2H4 (C2v) GR=CP1989 <B-B> <B-H(b)> <> <> <B-H(t)> <H(t)-B-B> GWT=0.25 B 0.00000000 +0 0.0000000 +0 0.0000000 +0 0.0000 B 1.45900000 +1 0.0000000 +0 0.0000000 +0 1 0 0 0.0000 H 1.33700000 +1 93.4936179 +1 0.0000000 +0 1 2 0 0.0000 H 1.19601414 +0 93.4936179 +0 -112.1526375 +1 1 2 3 0.0000 H 1.17600000 +1 173.2000000 +1 123.8673776 +1 1 2 3 0.0000 H 1.17435102 +0 145.7211898 +0 56.2166781 +1 2 1 3 0.0000