PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
trimethyl arsenite
3991 Trimethyl arsenite
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ΔHf: -131.1 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
PM7
Trimethyl arsenite
H=-131.1 HR=C&P1970
XX 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
As 1.00000000 +0 0.0000000 +0 0.0000000 +0 1 0 0
O 1.78016247 +1 162.0527913 +1 0.0000000 +0 2 1 0
O 1.77928941 +1 91.9475637 +1 176.9106882 +1 2 1 3
O 1.77968341 +1 69.3433851 +1 -76.8014601 +1 2 1 3
C 1.39387226 +1 135.8276562 +1 -127.5515859 +1 3 2 1
C 1.39391290 +1 135.9301919 +1 123.7699283 +1 4 2 1
C 1.39383973 +1 135.9286420 +1 -141.5159615 +1 5 2 1
H 1.09696463 +1 110.7483128 +1 -61.6719955 +1 6 3 2
H 1.09697376 +1 110.7260590 +1 62.1769517 +1 6 3 2
H 1.10276118 +1 103.6638890 +1 -179.7525122 +1 6 3 2
H 1.09684343 +1 110.8116807 +1 -60.8841561 +1 7 4 2
H 1.09701480 +1 110.6602875 +1 62.9687171 +1 7 4 2
H 1.10271380 +1 103.6631689 +1 -178.9829811 +1 7 4 2
H 1.09681306 +1 110.8294168 +1 60.7419606 +1 8 5 2
H 1.10269286 +1 103.6629695 +1 178.8551041 +1 8 5 2
H 1.09708141 +1 110.6307550 +1 -63.1121127 +1 8 5 2