PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
triethyl arsenite
3994 Triethyl arsenite
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ΔHf: -156.8 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
PM7
Triethyl arsenite
H=-156.8 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 1.77634483 +1 134.0800408 +1 0.0000000 +0 2 1 0
O 1.77494849 +1 112.9043419 +1 -143.1378985 +1 2 1 3
O 1.77681956 +1 40.4786008 +1 -57.6523584 +1 2 1 3
C 1.39607053 +1 137.5398535 +1 -81.0765622 +1 3 2 1
C 1.39796184 +1 137.1731983 +1 95.9284951 +1 4 2 1
C 1.39942430 +1 136.2434474 +1 -153.8595927 +1 5 2 1
H 1.11231903 +1 102.7530529 +1 -148.5909124 +1 6 3 2
H 1.10419558 +1 111.1967255 +1 -31.7010136 +1 6 3 2
C 1.52752360 +1 109.4381722 +1 92.7613714 +1 6 3 2
H 1.10906894 +1 106.5964118 +1 -121.8910125 +1 7 4 10
H 1.10548119 +1 111.0919712 +1 -2.2168420 +1 7 4 10
C 1.52891832 +1 105.8395274 +1 118.8841883 +1 7 4 10
H 1.10764840 +1 108.4473513 +1 66.3627895 +1 8 5 2
C 1.52883280 +1 105.1938695 +1 -173.9444150 +1 8 5 2
H 1.10686464 +1 109.6964886 +1 -53.8168171 +1 8 5 2
H 1.09890619 +1 110.5363011 +1 48.2437897 +1 11 6 3
H 1.09391270 +1 111.1729695 +1 168.2593477 +1 11 6 3
H 1.09583852 +1 112.0336409 +1 -70.4426320 +1 11 6 3
H 1.09790274 +1 110.7432184 +1 55.9950530 +1 14 7 4
H 1.09282257 +1 111.4632368 +1 176.8055715 +1 14 7 4
H 1.09733865 +1 110.9047901 +1 -62.1219242 +1 14 7 4
H 1.09759077 +1 110.7915590 +1 59.0654281 +1 16 8 5
H 1.09291776 +1 111.4737317 +1 -179.9408501 +1 16 8 5
H 1.09782223 +1 110.8257790 +1 -58.9986274 +1 16 8 5