PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
b3o3f3
1605 B3O3F3
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ΔHf: -567.7 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
B3O3F3
H=-567.7 HR=HLKS1979
B 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.40016683 +1 0.0000000 +0 0.0000000 +0 1 0 0
B 1.40094743 +1 118.9687480 +1 0.0000000 +0 2 1 0
O 1.40013218 +1 121.0447323 +1 -0.0563178 +1 3 2 1
B 1.40086332 +1 118.9474634 +1 -0.0189512 +1 4 3 2
O 1.40013939 +1 121.0431008 +1 0.0302985 +1 5 4 3
F 1.30579024 +1 119.4695940 +1 179.9502100 +1 1 6 5
F 1.30588912 +1 119.4806382 +1 -179.9953374 +1 5 6 1
F 1.30585383 +1 119.3787449 +1 179.9435171 +1 3 2 1