PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
trimethylborane-ammonia adduct
480 Trimethylborane-Ammonia adduct
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ΔHf: -54.1 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-Ammonia adduct
H=-54.1 HR=HLKS1979
B 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.65313652 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.09119777 +1 108.3380681 +1 0.0000000 +0 2 1 0
H 1.08701507 +1 110.9243396 +1 118.6509455 +1 2 1 3
H 1.08697343 +1 110.9050776 +1 -118.7493376 +1 2 1 3
C 1.65249374 +1 110.4685078 +1 63.0242829 +1 1 2 3
H 1.08713354 +1 110.9475438 +1 54.1239804 +1 6 1 2
H 1.08677537 +1 111.0004570 +1 122.8526708 +1 6 1 7
H 1.09149478 +1 108.2602365 +1 -118.4390739 +1 6 1 7
C 1.65243118 +1 110.6482533 +1 -122.8021959 +1 1 2 6
H 1.09119010 +1 108.4122651 +1 63.4295327 +1 10 1 2
H 1.08712757 +1 110.9091926 +1 118.6508669 +1 10 1 11
H 1.08712206 +1 110.9246707 +1 -118.7756582 +1 10 1 11
N 1.63236281 +1 108.2351554 +1 118.5539540 +1 1 2 6
H 1.01534651 +1 109.7346693 +1 59.6866633 +1 14 1 2
H 1.01544482 +1 109.6447748 +1 -60.2583336 +1 14 1 2
H 1.01530469 +1 109.8290007 +1 179.7451026 +1 14 1 2