Accuracy

trans-hpnh   1967 trans-HPNH

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  1957 TrimethylphosphineC3H9P
  1958 Protonated trimethylphosphineC3H10P
  1959 DiethylphosphineC4H11P
  1960 Phosphole (Geo)C5H5P
  1961 Trimethylborane-TrimethylphosphineH18BC6P
  1962 TriphenylphosphineC18H15P
  1963 Phosphorus nitrideNP
  1964 HPNHNP
  1965 PNHHNP
  1966 PNH2 (singlet)H2NP
  1967 trans-HPNH H2NP
  1968 (CH3)2P=NEtC5H14NP
  1969 (CH3)3P=NEtC5H14NP
  1970 Trimethylphosphine-N-ethylimineC5H14NP
  1971 Hexamethylphosphorous triamideC6H18N3P
  1972 Tris(diethylamino)phosphineC12H30N3P
  1973 Li(I)N3P (GEDDOI) (Geo)H33LiC21N3P
  1974 Phosphorus oxideOP
  1975 Phosphorus oxide (Geo)OP
  1976 HPOHOP
  1977 Trimethylphosphine oxideC3H9OP


ΔHf: 33.7 kcal/mol,     REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  
 PM7 PULAY
trans-HPNH
 H=33.7 HR=WHSMC03
  P     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.59561468 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.53456970 +1   98.9519711 +1    0.0000000 +0     1     2     0
  H     1.03877359 +1  121.4088502 +1 -180.0000000 +1     2     1     3