PM7 Accuracy

trimethylphosphine   1960 Trimethylphosphine

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    #  Species Formula
  1950 Carbon phosphide (Geo)CP
  1951 MethinophosphideHCP
  1952 MethinophosphineHCP
  1953 Methinophosphide (Geo)HCP
  1954 Methylphosphine (Geo)CH5P
  1955 MethylphosphineCH5P
  1956 PhosphetetheneC2H5P
  1957 DimethylphosphineC2H7P
  1958 EthylphosphineC2H7P
  1959 Trimethylphosphine (Geo)C3H9P
  1960 Trimethylphosphine C3H9P
  1961 Protonated trimethylphosphineC3H10P
  1962 DiethylphosphineC4H11P
  1963 Phosphole (Geo)C5H5P
  1964 Trimethylborane-TrimethylphosphineH18BC6P
  1965 TriphenylphosphineC18H15P
  1966 Phosphorus nitrideNP
  1967 HPNHNP
  1968 PNHHNP
  1969 PNH2 (singlet)H2NP
  1970 trans-HPNHH2NP


DHf: -22.5 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 1.2 Debye,     REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Freeman, San Francisco, 1963.
I.P.: 8.6 eV,     REF: H. M. Rosenstock, K. Draxl, B. W. Steiner, J. T. Herron, "Energetics of Gaseous Ions," J. Phys. Ref. Data, 6 Suppl. 1 (1977).
  
 PM7
Trimethylphosphine
 H=-22.5 HR=C&P1970 D=1.19 I=8.60 DR=MCC1963 IR=RDSH1977
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  P     1.88144638  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.88150777  1  105.0314691  1    0.0000000  0     2     1     0
  C     1.88178441  1  105.0127704  1 -110.5149529  1     2     1     3
  H     1.10947130  1  114.2410009  1   51.6655334  1     1     2     3
  H     1.11615554  1  110.8038064  1  172.8897345  1     1     2     3
  H     1.11653650  1  110.7400392  1  -69.4992266  1     1     2     3
  H     1.10947074  1  114.2996653  1  -51.4984326  1     3     2     1
  H     1.11675683  1  110.6712159  1   69.6315056  1     3     2     1
  H     1.11605713  1  110.8605619  1 -172.7915687  1     3     2     1
  H     1.11603253  1  110.8552637  1  172.6230513  1     4     2     1
  H     1.11660252  1  110.6806891  1  -69.8129415  1     4     2     1
  H     1.10946373  1  114.3052232  1   51.3353112  1     4     2     1