PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
ethylphosphonic dichloride
2546 Ethylphosphonic dichloride
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ΔHf: -136.4 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
PM7
Ethylphosphonic dichloride
H=-136.4 HR=C&P1970
P 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Cl 1.87918876 +1 0.0000000 +0 0.0000000 +0 1 0 0
Cl 1.87930486 +1 106.5607789 +1 0.0000000 +0 1 2 0
C 1.85200940 +1 105.2964517 +1 -111.5111134 +1 1 2 3
C 1.53887009 +1 117.5697144 +1 56.4426670 +1 4 1 2
O 1.47222234 +1 111.8803932 +1 122.6495616 +1 1 2 3
H 1.13165808 +1 107.8420090 +1 -67.1653878 +1 4 1 2
H 1.13168069 +1 107.8224649 +1 -179.9425848 +1 4 1 2
H 1.10054329 +1 109.3126062 +1 179.7623833 +1 5 4 1
H 1.10030152 +1 113.5932545 +1 61.4616868 +1 5 4 1
H 1.09984501 +1 113.8060257 +1 -61.7559203 +1 5 4 1