PM7 Accuracy

phosphine   1947 Phosphine

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    #  Species Formula
  1937 TrisilaneH8Si3
  1938 Cyclopentasilane (Geo)H10Si5
  1939 Si(SiMe3)4 (GUFMOJ) (Geo)C12H36Si5
  1940 Si(SiMe3)4 (GUFMOJ)C12H36Si5
  1941 Phosphorus, cationP
  1942 Phosphorus, atomP
  1943 PhosphinideneHP
  1944 PhosphinoH2P
  1945 Phosphine cationH3P
  1946 Phosphine (Geo)H3P
  1947 Phosphine H3P
  1948 PH4(+)H4P
  1949 Carbon monophosphideCP
  1950 Carbon phosphide (Geo)CP
  1951 MethinophosphideHCP
  1952 MethinophosphineHCP
  1953 Methinophosphide (Geo)HCP
  1954 Methylphosphine (Geo)CH5P
  1955 MethylphosphineCH5P
  1956 PhosphetetheneC2H5P
  1957 DimethylphosphineC2H7P


DHf: 1.3 kcal/mol,     REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
Dipole: 0.6 Debye,     REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
I.P.: 10.0 eV,     REF: "CRC Handbook of Chemistry and Physics," 60th Edition, R. C. Weast, (Ed.), CRC Press, Boca Raton, FL, 1980.
  
 SYMMETRY PM7
Phosphine
 H=1.3 HR=JANAF86 D=0.578 I=9.98 DR=NLM1967 IR=CRC
  H     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  P     1.49932776  1    0.0000000  0    0.0000000  0     1     0     0
  H     1.49932776  0  100.4677527  1    0.0000000  0     2     1     0
  H     1.49932776  0  100.4677527  0  102.8231084  1     2     1     3
 
   2  1    3    4
   3  2    4