PM7 Accuracy

methylphosphine   1955 Methylphosphine

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    #  Species Formula
  1945 Phosphine cationH3P
  1946 Phosphine (Geo)H3P
  1947 PhosphineH3P
  1948 PH4(+)H4P
  1949 Carbon monophosphideCP
  1950 Carbon phosphide (Geo)CP
  1951 MethinophosphideHCP
  1952 MethinophosphineHCP
  1953 Methinophosphide (Geo)HCP
  1954 Methylphosphine (Geo)CH5P
  1955 Methylphosphine CH5P
  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


DHf: -7.0 kcal/mol,     REF: Y. Wada, R. W. Kiser, J. Phys. Chem., 68, 2290 (1964).
Dipole: 1.1 Debye,     REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Freeman, San Francisco, 1963.
I.P.: 9.7 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 SYMMETRY PM7
Methylphosphine
 H=-7.0 D=1.10 I=9.72 IR=LLNBS82 HR=YK1964 DR=MCC1963
  P     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.86263362  1    0.0000000  0    0.0000000  0     1     0     0
  H     1.11202882  1  115.4912358  1    0.0000000  0     2     1     0
  H     1.12058386  1  106.4475892  1  124.1391309  1     2     3     1
  H     1.12058386  0  106.4475892  0 -124.1391309  0     2     3     1
  H     1.49335283  1  103.7468768  1  -52.2114029  1     1     2     3
  H     1.49335283  0  103.7468768  0   52.2114029  0     1     2     3
 
   4  1    5
   4  2    5
   6  1    7
   6  2    7
   4 14    5
   6 14    7