PM7 Accuracy

p-fluorobenzoic acid   1524 p-Fluorobenzoic acid

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    #  Species Formula
  1514 LiF.H2OH2LiOF
  1515 LiF.H2O (Geo)H2LiOF
  1516 FBOBOF
  1517 HCOFHCOF
  1518 Acetyl fluorideC2H3OF
  1519 Nitrosyl fluoride (Geo)NOF
  1520 Nitrosyl fluorideNOF
  1521 Fluorine dioxideO2F
  1522 Fluorodihydroxyborane (Geo)H2BO2F
  1523 FluorodihydroxyboraneH2BO2F
  1524 p-Fluorobenzoic acid C7H5O2F
  1525 Fluorine nitriteNO2F
  1526 B3O3H2FH2B3O3F
  1527 Fluorine nitrateNO3F
  1528 FluorodinitromethaneHCN2O4F
  1529 FluorodinitrophenylmethaneC7H5N2O4F
  1530 Li(+)(H2O)5.FH10LiO5F
  1531 Li(+)(H2O)5.F (Geo)H10LiO5F
  1532 Fluorine (Geo)F2
  1533 FluorineF2
  1534 Hydrogen fluoride dimer (Geo)H2F2


DHf: -118.4 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 9.9 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
p-Fluorobenzoic acid
 H=-118.4 HR=C&P1970 I=9.9 IR=LLNBS82
  C    -0.00587476  1  -0.00012363  1  -0.01216478  1
  C     2.78956660  1   0.02230861  1   0.04406983  1
  C     0.71387907  1   1.19424958  1   0.03473222  1
  C     0.70462401  1  -1.19843343  1  -0.02913532  1
  C     2.10647050  1   1.23826417  1   0.06268788  1
  C     2.09839434  1  -1.19123418  1  -0.00001094  1
  H    -1.09518519  1   0.00143557  1  -0.03459467  1
  F     0.04455009  1   2.33704667  1   0.05309525  1
  H     0.16769819  1  -2.14672405  1  -0.06530654  1
  H     2.64781096  1   2.18765212  1   0.09695920  1
  H     2.65555601  1  -2.13257675  1  -0.01066666  1
  C     4.26213140  1  -0.02271713  1   0.07149672  1
  O     4.97077482  1  -0.99296417  1   0.15389589  1
  O     4.80200224  1   1.22153604  1  -0.01455769  1
  H     5.79234465  1   1.21920563  1  -0.00163433  1