Accuracy

1,4-difluorobenzene   1290 1,4-Difluorobenzene

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    #  Species Formula
  1280 Difluoromethylene (Geo)CF2
  1281 DifluoromethyleneCF2
  1282 Difluoromethyl, cationHCF2
  1283 DifluoromethaneCH2F2
  1284 DifluoroacetyleneC2F2
  1285 gem-DifluoroethyleneC2H2F2
  1286 CH3CF2, cationC2H3F2
  1287 1,1-DifluoroethaneC2H4F2
  1288 1,2-DifluorobenzeneC6H4F2
  1289 1,3-DifluorobenzeneC6H4F2
  1290 1,4-Difluorobenzene C6H4F2
  1291 NF2.NF2
  1292 Difluoro nitrogen, anionNF2
  1293 t-ButyldifluoroamineC4H9NF2
  1294 N,N'-DifluorobenzylamineC7H7NF2
  1295 cis-DifluorodiazeneN2F2
  1296 trans-DifluorodiazeneN2F2
  1297 NF2-CN (Geo)CN2F2
  1298 Difluorine oxideOF2
  1299 F2O (Geo)OF2
  1300 Carbonyl fluorideCOF2


ΔHf: -73.3 kcal/mol,     REF: Assessment of Gaussian-3 and Density Functional Theories for a Larger Test Set" L. A. Curtiss, K. Raghavachari, P. C. Redfern, and J. A. Pople, Journal of Chemical Physics, 112, 7374 (2000).
  

1,4-Difluorobenzene
 H=-73.3 HR=G3-99
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39549846 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39546468 +1  123.2522620 +1    0.0000000 +0     2     1     0
  C     1.39213631 +1  118.3588003 +1   -0.0122690 +1     3     2     1
  C     1.39546488 +1  118.3900173 +1   -0.0063102 +1     4     3     2
  C     1.39542290 +1  123.2473481 +1    0.0065971 +1     5     4     3
  F     1.32476187 +1  118.3474012 +1  179.9944897 +1     2     1     3
  F     1.32475537 +1  118.3770436 +1 -179.9963402 +1     5     4     6
  H     1.08996588 +1  121.0589443 +1 -179.9942379 +1     1     2     3
  H     1.08993416 +1  121.0881237 +1 -179.9993010 +1     3     2     4
  H     1.09001092 +1  120.5642272 +1  179.9998892 +1     4     3     5
  H     1.08996448 +1  121.0756864 +1 -179.9964997 +1     6     5     4