Accuracy

methyl phosphate   1989 Methyl phosphate

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    #  Species Formula
  1979 Triphenyl phosphine oxideC18H15OP
  1980 Phosphorus dioxideO2P
  1981 HPO3HO3P
  1982 Methylphosphonic acidCH5O3P
  1983 Ethylphosphonic acidC2H7O3P
  1984 Trimethyl phosphiteC3H9O3P
  1985 Triethyl phosphiteC6H15O3P
  1986 Di-isopropyl ethylphosphonateC8H19O3P
  1987 Tri-isopropyl phosphiteC9H21O3P
  1988 Methyl phosphate anionCH4O4P
  1989 Methyl phosphate CH5O4P
  1990 Ethylene phosphate anion (Geo)C2H4O4P
  1991 Ethylene phosphate anionC2H4O4P
  1992 (C2H4)PO4HC2H5O4P
  1993 Ethylene phosphateC2H5O4P
  1994 Dimethyl phosphate anion (Geo)C2H6O4P
  1995 Dimethyl phosphate anionC2H6O4P
  1996 Dimethyl hydrogen phosphateC2H7O4P
  1997 Dimethyl hydrogen phosphate (Geo)C2H7O4P
  1998 Methyl ethyl phosphate anionC3H8O4P
  1999 Trimethyl phosphate (Geo)C3H9O4P


ΔHf: -247.3 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 PM7
Methyl phosphate
 H=-247.3 HR=PW91D
  P     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.45114258 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.65647526 +1   96.4603382 +1    0.0000000 +0     1     2     0
  O     1.58856976 +1  112.7815411 +1 -107.9839512 +1     1     2     3
  O     1.60184935 +1  119.0987617 +1 -117.6590475 +1     1     2     4
  O     1.43805499 +1   31.1368255 +1  147.2110389 +1     3     1     2
  H     1.10384003 +1  130.3486144 +1  -13.2837408 +1     3     1     6
  H     1.09870293 +1  100.8185984 +1  128.0073659 +1     3     1     7
  H     1.09884728 +1   94.3034462 +1  111.7471233 +1     3     1     8
  H     1.02506657 +1  108.3372117 +1  -54.5313086 +1     5     1     2
  H     1.02983050 +1  108.7282311 +1 -177.8224837 +1     4     1     2