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

p-fluorobenzoic acid   1523 p-Fluorobenzoic acid

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    #  Species Formula
  1513 LiF.H2OH2LiOF
  1514 LiF.H2O (Geo)H2LiOF
  1515 FBOBOF
  1516 HCOFHCOF
  1517 Acetyl fluorideC2H3OF
  1518 Nitrosyl fluoride (Geo)NOF
  1519 Nitrosyl fluorideNOF
  1520 Fluorine dioxideO2F
  1521 Fluorodihydroxyborane (Geo)H2BO2F
  1522 FluorodihydroxyboraneH2BO2F
  1523 p-Fluorobenzoic acid C7H5O2F
  1524 Fluorine nitriteNO2F
  1525 B3O3H2FH2B3O3F
  1526 Fluorine nitrateNO3F
  1527 FluorodinitromethaneHCN2O4F
  1528 FluorodinitrophenylmethaneC7H5N2O4F
  1529 Li(+)(H2O)5.FH10LiO5F
  1530 Li(+)(H2O)5.F (Geo)H10LiO5F
  1531 Fluorine (Geo)F2
  1532 FluorineF2
  1533 Hydrogen fluoride dimer (Geo)H2F2


ΔHf: -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