PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
chloroethane
2341 Chloroethane
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ΔHf: -26.8 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).
PM7
Chloroethane
HR=WEPS1982 H=-26.8 S=65.97 CP=15.01
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.50969441 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.09996484 +1 112.1616985 +1 0.0000000 +0 2 1 0
H 1.10015777 +1 112.1220778 +1 120.1118142 +1 2 1 3
H 1.09868996 +1 111.2901923 +1 -120.0268185 +1 2 1 3
H 1.10175354 +1 112.9975522 +1 57.6738351 +1 1 2 3
H 1.10174830 +1 112.9961528 +1 -177.3497208 +1 1 2 3
Cl 1.78729904 +1 108.8531746 +1 -59.8409658 +1 1 2 3