Accuracy
bocl
2375 BOCl
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Geometry predicted using PM7
ΔHf: -75.0 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
BOCl
H=-75 HR=HLKS1979
O 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
B 1.18192943 +1 0.0000000 +0 0.0000000 +0 1 0 0
Cl 1.66721929 +1 179.9997830 +1 180.0000000 +0 2 1 0