PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
triethyl phosphite
1987 Triethyl phosphite
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ΔHf: -195.9 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
PM7
Triethyl phosphite
H=-195.9 HR=C&P1970
P 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.59402010 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.42913622 +1 133.2265010 +1 0.0000000 +0 2 1 0
C 1.52933678 +1 101.3965424 +1 -176.8329772 +1 3 2 1
O 1.59215713 +1 111.5705858 +1 62.6367990 +1 1 2 3
C 1.42865477 +1 133.6429826 +1 -60.5743387 +1 5 1 2
C 1.52940915 +1 101.4800451 +1 179.7173916 +1 6 5 1
O 1.59255791 +1 111.6823025 +1 -62.3859710 +1 1 2 3
C 1.42882825 +1 133.4981818 +1 59.7416811 +1 8 1 2
C 1.52942133 +1 101.4748959 +1 178.4502824 +1 9 8 1
H 1.10639746 +1 110.8275676 +1 64.6844380 +1 3 2 1
H 1.10577851 +1 111.6690412 +1 -58.0774747 +1 3 2 1
H 1.09333623 +1 111.1811665 +1 -179.2153262 +1 4 3 2
H 1.09852879 +1 110.9310177 +1 59.9164374 +1 4 3 2
H 1.09875030 +1 110.9025960 +1 -58.3999007 +1 4 3 2
H 1.10606525 +1 111.2467057 +1 61.0820644 +1 6 5 1
H 1.10612143 +1 111.1886458 +1 -61.6454636 +1 6 5 1
H 1.09321993 +1 111.2005077 +1 -179.8402364 +1 7 6 5
H 1.09859473 +1 110.9001177 +1 59.3006293 +1 7 6 5
H 1.09864775 +1 110.8889329 +1 -59.0022966 +1 7 6 5
H 1.10590259 +1 111.4505351 +1 59.7318208 +1 9 8 1
H 1.10626292 +1 110.9903108 +1 -62.9841771 +1 9 8 1
H 1.09324046 +1 111.1988395 +1 179.5977782 +1 10 9 8
H 1.09871589 +1 110.8781243 +1 58.7673811 +1 10 9 8
H 1.09852968 +1 110.9108212 +1 -59.5338011 +1 10 9 8