PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
borane
29 Borane
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ΔHf: 23.9 kcal/mol, REF: M. D. Harmony, V. W. Laurie, R. L. Kuczkowsky, R. H. Schwendeman, D. A. Ramsay, F. J. Lovas, W. J. Lafferty, A. G. Maki, J. Phys. Chem. Ref. Data 8, 3 (1979).
SYMMETRY PM7
Borane
H=23.9 HR=HLKS1979
B 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
XX 1.16826369 +1 0.0000000 +0 0.0000000 +0 1 0 0
XX 1.00000000 +0 120.0000000 +0 0.0000000 +0 2 1 0
H 1.16826369 +0 90.0000000 +1 180.0000000 +0 1 2 3
H 1.16826369 +0 90.0000000 +0 60.0000000 +0 1 2 3
H 1.16826369 +0 90.0000000 +0 -60.0000000 +0 1 2 3