PM7 Accuracy

triphenylphosphine   1965 Triphenylphosphine

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    #  Species Formula
  1955 MethylphosphineCH5P
  1956 PhosphetetheneC2H5P
  1957 DimethylphosphineC2H7P
  1958 EthylphosphineC2H7P
  1959 Trimethylphosphine (Geo)C3H9P
  1960 TrimethylphosphineC3H9P
  1961 Protonated trimethylphosphineC3H10P
  1962 DiethylphosphineC4H11P
  1963 Phosphole (Geo)C5H5P
  1964 Trimethylborane-TrimethylphosphineH18BC6P
  1965 Triphenylphosphine C18H15P
  1966 Phosphorus nitrideNP
  1967 HPNHNP
  1968 PNHHNP
  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


DHf: 78.5 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 GEO-OK PM7
Triphenylphosphine
 H=78.5 HR=C&P1970
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39165795  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39432303  1  120.4408679  1    0.0000000  0     2     1     0
  C     1.40338090  1  119.8227526  1   -0.1587016  1     3     2     1
  C     1.40696107  1  119.6733349  1   -0.3873575  1     4     3     2
  C     1.39275168  1  119.8543753  1    0.1903420  1     1     2     3
  P     1.86265969  1  122.5159984  1 -178.2980362  1     4     3     2
  C     1.86289968  1  105.9978241  1    6.1438030  1     7     4     3
  C     1.40661943  1  117.7612451  1   81.0511629  1     8     7     4
  C     1.39368619  1  119.6761727  1  179.2019485  1     9     8     7
  C     1.39247566  1  120.5190584  1   -0.7420982  1    10     9     8
  C     1.39200168  1  119.8594850  1    0.1327739  1    11    10     9
  C     1.40383231  1  122.5368832  1 -100.6317179  1     8     7     4
  C     1.86284668  1  106.0526562  1 -106.1354683  1     7     4     3
  C     1.40340904  1  122.5854164  1    6.9490350  1    14     7     4
  C     1.39423466  1  119.8206547  1 -178.5199669  1    15    14     7
  C     1.39186374  1  120.4490217  1   -0.2981090  1    16    15    14
  C     1.39272877  1  119.8553323  1    0.3819737  1    17    16    15
  C     1.40681904  1  117.7315628  1 -171.2219243  1    14     7     4
  H     1.08928150  1  120.0929740  1 -179.9622292  1     1     2     3
  H     1.08930208  1  120.0166043  1 -179.9041890  1     2     1     6
  H     1.09565418  1  117.6122403  1  179.6474221  1     3     2     1
  H     1.09790764  1  122.7084443  1 -178.9049357  1     5     4     3
  H     1.08949672  1  119.9366827  1  179.8943672  1     6     1     2
  H     1.09805777  1  122.7174145  1   -0.6272954  1     9     8     7
  H     1.08946788  1  119.5233299  1  179.6692889  1    10     9     8
  H     1.08937228  1  120.0600270  1 -179.7079157  1    11    10     9
  H     1.08930349  1  120.0190158  1 -179.7445513  1    12    11    10
  H     1.09570301  1  122.5296014  1    1.5893131  1    13     8     7
  H     1.09564071  1  122.5529799  1    1.7292828  1    15    14     7
  H     1.08927133  1  119.5285175  1  179.8510611  1    16    15    14
  H     1.08931965  1  120.0929204  1 -179.7944231  1    17    16    15
  H     1.08953940  1  119.9356901  1  179.8232670  1    18    17    16
  H     1.09796483  1  122.7124503  1   -0.6320716  1    19    14     7