PM7 Accuracy

trimethylphosphine oxide   1979 Trimethylphosphine oxide

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    #  Species Formula
  1969 PNH2 (singlet)H2NP
  1970 trans-HPNHH2NP
  1971 (CH3)2P=NEtC5H14NP
  1972 Trimethylphosphine-N-ethylimineC5H14NP
  1973 Hexamethylphosphorous triamideC6H18N3P
  1974 Tris(diethylamino)phosphineC12H30N3P
  1975 Li(I)N3P (GEDDOI) (Geo)H33LiC21N3P
  1976 Phosphorus oxideOP
  1977 Phosphorus oxide (Geo)OP
  1978 HPOHOP
  1979 Trimethylphosphine oxide C3H9OP
  1980 Triphenyl phosphine oxide (Geo)C18H15OP
  1981 Triphenyl phosphine oxideC18H15OP
  1982 Phosphorus dioxideO2P
  1983 Phosphorus trioxide, anionO3P
  1984 HPO3HO3P
  1985 Methylphosphonic acidCH5O3P
  1986 Ethylphosphonic acidC2H7O3P
  1987 Trimethyl phosphiteC3H9O3P
  1988 Triethyl phosphiteC6H15O3P
  1989 Di-isopropyl ethylphosphonateC8H19O3P


DHf: -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