PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

methyl phosphate   1991 Methyl phosphate

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    #  Species Formula
  1981 Triphenyl phosphine oxideC18H15OP
  1982 Phosphorus dioxideO2P
  1983 HPO3HO3P
  1984 Methylphosphonic acidCH5O3P
  1985 Ethylphosphonic acidC2H7O3P
  1986 Trimethyl phosphiteC3H9O3P
  1987 Triethyl phosphiteC6H15O3P
  1988 Di-isopropyl ethylphosphonateC8H19O3P
  1989 Tri-isopropyl phosphiteC9H21O3P
  1990 Methyl phosphate anionCH4O4P
  1991 Methyl phosphate CH5O4P
  1992 Ethylene phosphate anion (Geo)C2H4O4P
  1993 Ethylene phosphate anionC2H4O4P
  1994 (C2H4)PO4HC2H5O4P
  1995 Ethylene phosphateC2H5O4P
  1996 Dimethyl phosphate anion (Geo)C2H6O4P
  1997 Dimethyl phosphate anionC2H6O4P
  1998 Dimethyl hydrogen phosphateC2H7O4P
  1999 Dimethyl hydrogen phosphate (Geo)C2H7O4P
  2000 Methyl ethyl phosphate anionC3H8O4P
  2001 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