PM7 Accuracy

diethylphosphine   1962 Diethylphosphine

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    #  Species Formula
  1952 MethinophosphineHCP
  1953 Methinophosphide (Geo)HCP
  1954 Methylphosphine (Geo)CH5P
  1955 MethylphosphineCH5P
  1956 PhosphetetheneC2H5P
  1957 DimethylphosphineC2H7P
  1958 EthylphosphineC2H7P
  1959 Trimethylphosphine (Geo)C3H9P
  1960 TrimethylphosphineC3H9P
  1961 Protonated trimethylphosphineC3H10P
  1962 Diethylphosphine C4H11P
  1963 Phosphole (Geo)C5H5P
  1964 Trimethylborane-TrimethylphosphineH18BC6P
  1965 TriphenylphosphineC18H15P
  1966 Phosphorus nitrideNP
  1967 HPNHNP
  1968 PNHHNP
  1969 PNH2 (singlet)H2NP
  1970 trans-HPNHH2NP
  1971 (CH3)2P=NEtC5H14NP
  1972 Trimethylphosphine-N-ethylimineC5H14NP


DHf: -25.0 kcal/mol,     REF: Y. Wada, R. W. Kiser, J. Phys. Chem., 68, 2290 (1964).
  
 PULAY PM7
Diethylphosphine
 HR=YK1964 H=-25
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53932565  1    0.0000000  0    0.0000000  0     1     0     0
  P     1.91339601  1  114.8081606  1    0.0000000  0     2     1     0
  C     1.91310695  1  104.1585436  1  171.7665797  1     3     2     1
  C     1.53933204  1  114.8424857  1 -170.1024616  1     4     3     2
  H     1.10123625  1  109.1978526  1 -176.3015522  1     5     4     3
  H     1.09892425  1  113.7702321  1   65.0770193  1     5     4     3
  H     1.10190891  1  113.5758413  1  -58.1095937  1     5     4     3
  H     1.12764505  1  108.1662549  1   69.0265106  1     4     3     2
  H     1.12113458  1  111.3836809  1  -46.1773235  1     4     3     2
  H     1.49074569  1  102.5528100  1   65.0274258  1     3     2     1
  H     1.12104305  1  111.4027953  1   47.8098865  1     2     3     4
  H     1.12754774  1  108.1671491  1  -67.4249197  1     2     3     4
  H     1.10120226  1  109.1956615  1  176.1927208  1     1     2     3
  H     1.10189421  1  113.5948936  1   57.9828850  1     1     2     3
  H     1.09896026  1  113.7625540  1  -65.1818314  1     1     2     3