Accuracy

c5h5pr   1960 Phosphole (Geo)

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    #  Species Formula
  1950 Methinophosphide (Geo)HCP
  1951 Methylphosphine (Geo)CH5P
  1952 MethylphosphineCH5P
  1953 PhosphetetheneC2H5P
  1954 DimethylphosphineC2H7P
  1955 EthylphosphineC2H7P
  1956 Trimethylphosphine (Geo)C3H9P
  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-HPNHH2NP
  1968 (CH3)2P=NEtC5H14NP
  1969 (CH3)3P=NEtC5H14NP
  1970 Trimethylphosphine-N-ethylimineC5H14NP


REF: J. H. Callomon, E. Hirota, K. Kuchitsu, W. J. Lafferty, A. G. Maki, C. S. Pote, "Structure Data on Free Polyatomic Molecules," Landolt-Bornstein, New Series, Group II, Vol. 7, Springer, Berlin (1976).
  
 PM7
Phosphole
 GR=CHKL1976 <C1-C2> <C-P> < > < > < > < > <C2-C3>
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.38400000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  P     1.73300000 +1  123.1986852 +1    0.0000000 +0     2     1     0
  C     1.73895184 +1  103.4280963 +1    0.0045713 +1     3     2     1
  C     1.41300000 +1  122.5623922 +1    0.0084311 +1     4     3     2
  C     1.39685886 +1  123.5821720 +1   -0.0202400 +1     5     4     3
  H     1.11417372 +1  119.0854786 +1 -179.9937370 +1     4     3     2
  H     1.09677321 +1  117.8759603 +1  179.9919614 +1     5     4     3
  H     1.09379535 +1  118.6379190 +1 -179.9940926 +1     6     5     4
  H     1.10082266 +1  118.3777906 +1  179.9991161 +1     1     2     5
  H     1.11954971 +1  118.2265000 +1 -179.9973947 +1     2     3     6