PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
(ch3)2o-bf3
1601 (CH3)2O-BF3
(Previous)
(Back)
(Next)
ΔHf: -328.2 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
(CH3)2O-BF3
H=-328.2 HR=HLKS1979
O 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.41458896 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.41457541 +1 113.1320320 +1 0.0000000 +0 1 2 0
H 1.09801297 +1 102.9589152 +1 179.9387676 +1 2 1 3
H 1.09826745 +1 102.9388622 +1 -179.9681658 +1 3 1 2
H 1.09414611 +1 111.0959531 +1 -62.0418623 +1 2 1 3
H 1.09412090 +1 111.1187428 +1 61.8899859 +1 2 1 3
H 1.09408318 +1 111.1005950 +1 62.0325133 +1 3 1 2
H 1.09405210 +1 111.1207768 +1 -61.9306425 +1 3 1 2
B 4.13512960 +1 126.8111450 +1 172.9075408 +1 1 2 3
F 1.30508387 +1 92.4865775 +1 -51.3930014 +1 10 1 2
F 1.30504423 +1 94.5664439 +1 68.8975615 +1 10 1 2
F 1.30513459 +1 84.7819297 +1 -171.3216503 +1 10 1 2