PM7 Accuracy

fluorobenzene   1506 Fluorobenzene

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    #  Species Formula
  1496 Fluoromethane (Geo)CH3F
  1497 FluoromethaneCH3F
  1498 Fluoroacetylene (Geo)HC2F
  1499 FluoroacetyleneHC2F
  1500 Fluoroethylene (Geo)C2H3F
  1501 FluoroethyleneC2H3F
  1502 CH3CHF, cationC2H4F
  1503 FluoroethaneC2H5F
  1504 Fluoroallene (Geo)C3H3F
  1505 2-FluoropropaneC3H7F
  1506 Fluorobenzene C6H5F
  1507 FluorocyclohexaneC6H11F
  1508 1-FluorononaneC9H19F
  1509 Cyanogen fluorideCNF
  1510 Cyanogen fluoride (Geo)CNF
  1511 Fluorine oxideOF
  1512 Hypofluorous acidHOF
  1513 Lithium hypofluoriteLiOF
  1514 LiF.H2OH2LiOF
  1515 LiF.H2O (Geo)H2LiOF
  1516 FBOBOF


DHf: -27.8 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 1.7 Debye,     REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Freeman, San Francisco, 1963.
I.P.: 9.2 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.
  
 PM7
Fluorobenzene
 I=9.19 IR=LLNBS82 D=1.66 H=-27.76 HR=C&P1970 DR=MCC1963
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39445387  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39360596  1  123.1519112  1    0.0000000  0     2     1     0
  C     1.39372446  1  117.7437949  1    0.0000000  0     3     2     1
  C     1.39458836  1  120.4763812  1    0.0000000  0     4     3     2
  C     1.39519778  1  120.4165933  1    0.0000000  0     5     4     3
  H     1.08772139  1  120.9688197  1  180.0000000  0     1     6     5
  H     1.08805543  1  119.7784749  1  180.0000000  0     5     6     1
  F     1.32527684  1  118.3397043  1  180.0000000  0     2     1     6
  H     1.08963048  1  119.6877824  1  180.0000000  0     6     1     2
  H     1.08753995  1  121.4054589  1  180.0000000  0     3     2     1
  H     1.08970197  1  119.6159955  1  180.0000000  0     4     3     2