PM7 Accuracy

tri-isopropyl phosphite   1990 Tri-isopropyl phosphite

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    #  Species Formula
  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
  1990 Tri-isopropyl phosphite C9H21O3P
  1991 Methyl phosphate anionCH4O4P
  1992 Methyl phosphateCH5O4P
  1993 Ethylene phosphate anion (Geo)C2H4O4P
  1994 Ethylene phosphate anionC2H4O4P
  1995 (C2H4)PO4HC2H5O4P
  1996 Ethylene phosphateC2H5O4P
  1997 Dimethyl phosphate anion (Geo)C2H6O4P
  1998 Dimethyl phosphate anionC2H6O4P
  1999 Dimethyl phosphate anion (Geo)C2H6O4P
  2000 Dimethyl hydrogen phosphateC2H7O4P


DHf: -223.3 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 LET PM7
Tri-isopropyl phosphite
 H=-223.3 HR=C&P1970
  P     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  O     1.60765981  1    0.0000000  0    0.0000000  0     1     0     0
 XX     1.00000000  0   90.0000000  0    0.0000000  0     1     2     0
  C     1.42228783  1  135.4956227  1    0.0000000  0     2     1     3
  C     1.52945565  1  111.3501447  1  -74.4397556  1     4     2     1
  O     2.04033365  1   49.4437607  1 -111.4139634  1     3     1     2
  C     1.41643481  1  116.4209371  1  157.3214242  1     6     3     1
  C     1.52958102  1  110.0370982  1 -101.4725714  1     7     6     3
  O     1.65283244  1  100.3019523  1   10.5529867  1     1     2     3
  C     1.42589891  1  128.4391998  1  145.8936005  1     9     1     2
  C     1.52938367  1  112.9781659  1  -69.2735518  1    10     9     1
  C     1.52488291  1  116.1870784  1   54.4725997  1     4     2     1
  C     1.52552956  1  115.9737589  1   26.6374558  1     7     6     3
  C     1.52702284  1  115.3706808  1   60.8634099  1    10     9     1
  H     1.12984720  1   95.9429262  1  170.7219044  1     4     2     1
  H     1.09430116  1  110.9360082  1 -163.0475643  1     5     4     2
  H     1.09751361  1  111.8829282  1   76.7339739  1     5     4     2
  H     1.09795422  1  111.1396837  1  -43.0676781  1     5     4     2
  H     1.12789305  1   97.5477539  1  143.5188217  1     7     6     3
  H     1.09398937  1  111.0299457  1 -163.8182103  1     8     7     6
  H     1.09575385  1  112.2348811  1   75.4008703  1     8     7     6
  H     1.09904285  1  110.7654987  1  -43.8810344  1     8     7     6
  H     1.12948153  1   95.5784226  1  176.1321862  1    10     9     1
  H     1.09489928  1  110.8158015  1 -160.6487301  1    11    10     9
  H     1.09770525  1  112.4530741  1   79.3634060  1    11    10     9
  H     1.09775041  1  111.3377007  1  -40.8448433  1    11    10     9
  H     1.09580824  1  110.8023231  1  167.8660423  1    12     4     2
  H     1.09727877  1  111.6823046  1   48.0590503  1    12     4     2
  H     1.09877161  1  111.9394051  1  -72.6493610  1    12     4     2
  H     1.09517064  1  110.8844750  1  170.0332921  1    13     7     6
  H     1.09719369  1  111.4872959  1   50.1300203  1    13     7     6
  H     1.09686977  1  112.2762861  1  -69.9267555  1    13     7     6
  H     1.09549122  1  110.7041291  1  163.3473122  1    14    10     9
  H     1.09745185  1  111.6419638  1   43.5661707  1    14    10     9
  H     1.09822713  1  112.5984780  1  -76.9027250  1    14    10     9