PM7 Accuracy

phosphorus nitride   1966 Phosphorus nitride

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    #  Species Formula
  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 TriphenylphosphineC18H15P
  1966 Phosphorus nitride NP
  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
  1976 Phosphorus oxideOP


DHf: 42.8 kcal/mol,     REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
Dipole: 1.9 Debye,     REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  
 FIELD=(0.01,0.02,0.03) PULAY UHF PM7
Phosphorus nitride
 H=42.8 HR=WHSMC03 D=1.88 DR=WHSMC03
  P     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  N     1.47261731  1    0.0000000  0    0.0000000  0     1     0     0