PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

c5h5pr   1962 Phosphole (Geo)

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    #  Species Formula
  1952 Methinophosphide (Geo)HCP
  1953 Methylphosphine (Geo)CH5P
  1954 MethylphosphineCH5P
  1955 PhosphetetheneC2H5P
  1956 DimethylphosphineC2H7P
  1957 EthylphosphineC2H7P
  1958 Trimethylphosphine (Geo)C3H9P
  1959 TrimethylphosphineC3H9P
  1960 Protonated trimethylphosphineC3H10P
  1961 DiethylphosphineC4H11P
  1962 Phosphole (Geo) C5H5P
  1963 Trimethylborane-TrimethylphosphineH18BC6P
  1964 TriphenylphosphineC18H15P
  1965 Phosphorus nitrideNP
  1966 HPNHNP
  1967 PNHHNP
  1968 PNH2 (singlet)H2NP
  1969 trans-HPNHH2NP
  1970 (CH3)2P=NEtC5H14NP
  1971 (CH3)3P=NEtC5H14NP
  1972 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