PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
diborane
35 Diborane
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ΔHf: 8.5 kcal/mol, REF: D. D. Wagman, W. H. Evans, V. B. Parker, R. H. Schumm, I. Halow, S. M. Bailey, K. L. Churney, R. L. Nuttall, J. Phys. Chem. Ref. Data Suppl. 11, 2 (1982).
SYMMETRY PM7
Diborane
H=8.5 HR=WEPS1982
B 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
B 1.67922585 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.38004830 +1 52.4838197 +1 0.0000000 +0 2 1 0
H 1.38004830 +0 52.4838197 +0 180.0000000 +0 1 2 3
H 1.19639897 +1 131.3772934 +1 90.0000000 +0 1 2 3
H 1.19639897 +0 97.1017186 +1 180.0000000 +0 1 5 2
H 1.19639897 +0 131.3772934 +0 90.0000000 +0 2 1 3
H 1.19639897 +0 131.3772934 +0 -90.0000000 +0 2 1 3