PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
calcium difluoride
2776 Calcium difluoride
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ΔHf: -186.8 kcal/mol, REF: D. D. Wagman, W. H. Evans, V. B. Parker, R. H. Schumm, I. Halow, S. M. Bailey, K. L. Churney, R. L. Nuttall, J. Phys. Chem. Ref. Data Suppl. 11, 2 (1982).
SYMMETRY PM7
Calcium difluoride
H=-186.8 HR=WEPS1982
F 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Ca 1.86620050 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 1.86620050 +0 179.9913317 +1 180.0000000 +0 2 1 0