PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
trimethylphosphine oxide
1979 Trimethylphosphine oxide
(Previous)
(Back)
(Next)
ΔHf: -102.2 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
PM7
Trimethylphosphine oxide
H=-102.2 HR=C&P1970
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
P 1.84483686 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.84501847 +1 105.9612615 +1 0.0000000 +0 2 1 0
C 1.84535294 +1 105.9126950 +1 -112.2424569 +1 2 1 3
O 1.48981169 +1 112.7965769 +1 123.9145462 +1 2 1 3
H 1.10936895 +1 113.1651919 +1 54.3399557 +1 1 2 3
H 1.11592484 +1 110.4722783 +1 175.6731465 +1 1 2 3
H 1.11618611 +1 110.4274028 +1 -66.9227314 +1 1 2 3
H 1.10910853 +1 113.2618925 +1 53.9988876 +1 3 2 4
H 1.11597077 +1 110.4458264 +1 175.3865960 +1 3 2 4
H 1.11631658 +1 110.3371425 +1 -67.2565998 +1 3 2 4
H 1.11627770 +1 110.3237645 +1 67.4643211 +1 4 2 3
H 1.11587627 +1 110.4190207 +1 -175.2032972 +1 4 2 3
H 1.10899794 +1 113.2825203 +1 -53.8089585 +1 4 2 3