PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
trimethylborane
103 Trimethylborane
(Previous)
(Back)
(Next)
ΔHf: -29.3 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).
PM7
Trimethylborane
H=-29.3 HR=HLKS1979 S=75.93 CP=21.15
B 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.59104622 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.09540751 +1 109.6571100 +1 0.0000000 +0 2 1 0
H 1.09561933 +1 109.4955205 +1 117.7446412 +1 2 1 3
H 1.09117815 +1 112.9891427 +1 -121.2108328 +1 2 1 3
C 1.59100779 +1 119.9931574 +1 122.0769343 +1 1 2 3
H 1.09548214 +1 109.6003483 +1 -58.6820738 +1 6 1 2
H 1.09555701 +1 109.5503060 +1 117.7341139 +1 6 1 7
H 1.09119587 +1 113.0017353 +1 -121.1639545 +1 6 1 7
C 1.59106933 +1 120.0174983 +1 179.9592607 +1 1 2 6
H 1.09124668 +1 112.9982768 +1 -0.1284160 +1 10 1 2
H 1.09549757 +1 109.5519015 +1 121.1135836 +1 10 1 11
H 1.09545398 +1 109.5872705 +1 -121.1425749 +1 10 1 11