PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
trimethyamine-borane adduct
479 Trimethyamine-Borane adduct
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ΔHf: -20.3 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).
Dipole: 4.8 Debye, REF: P. Cassoux, R. L. Kuczkowski, P. S. Bryan, R. C. Taylor, Inorg. Chem., 14, 126 (1975).
NOINTER NOXYZ PM7
Trimethyamine-Borane adduct
H=-20.3 HR=HLKS1979 D=4.84 DR=CKBT1975
N 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.49613164 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.10043160 +1 112.3098356 +1 0.0000000 +0 2 1 0
H 1.10529625 +1 110.4885214 +1 120.8911830 +1 2 1 3
H 1.10504246 +1 110.5141203 +1 -121.0499422 +1 2 1 3
C 1.49640805 +1 108.9148405 +1 59.9172834 +1 1 2 3
H 1.10513261 +1 110.5283438 +1 61.4332870 +1 6 1 2
H 1.10533921 +1 110.4589373 +1 118.1466885 +1 6 1 7
H 1.10045222 +1 112.3548466 +1 -120.9152503 +1 6 1 7
C 1.49645824 +1 108.8658736 +1 -118.6069713 +1 1 2 6
H 1.10041137 +1 112.3425398 +1 59.7804430 +1 10 1 2
H 1.10528442 +1 110.4855077 +1 120.8828602 +1 10 1 11
H 1.10509322 +1 110.5136900 +1 -121.0322610 +1 10 1 11
B 1.57739772 +1 110.1359244 +1 120.6455987 +1 1 2 6
H 1.19309034 +1 117.8489690 +1 59.9401604 +1 14 1 2
H 1.19307548 +1 117.8465418 +1 -60.0839646 +1 14 1 2
H 1.19306493 +1 117.8491573 +1 179.9366015 +1 14 1 2