Accuracy

p-fluorobenzoic acid   1272 p-Fluorobenzoic acid

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    #  Species Formula
  1262 1-FluorononaneC9H19F
  1263 Cyanogen fluorideCNF
  1264 Cyanogen fluoride (Geo)CNF
  1265 Fluorine oxideOF
  1266 Hypofluorous acidHOF
  1267 HCOFHCOF
  1268 Acetyl fluorideC2H3OF
  1269 Nitrosyl fluoride (Geo)NOF
  1270 Nitrosyl fluorideNOF
  1271 Fluorine dioxideO2F
  1272 p-Fluorobenzoic acid C7H5O2F
  1273 Fluorine nitriteNO2F
  1274 Fluorine nitrateNO3F
  1275 FluorodinitromethaneHCN2O4F
  1276 FluorodinitrophenylmethaneC7H5N2O4F
  1277 Fluorine (Geo)F2
  1278 FluorineF2
  1279 Hydrogen fluoride dimer (Geo)H2F2
  1280 Difluoromethylene (Geo)CF2
  1281 DifluoromethyleneCF2
  1282 Difluoromethyl, cationHCF2


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.
  

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