PM7 Accuracy

1,4-difluorobenzene   1556 1,4-Difluorobenzene

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    #  Species Formula
  1546 DifluoromethaneCH2F2
  1547 DifluoromethylboraneH3BCF2
  1548 MethyldifluoroboraneH3BCF2
  1549 DifluoroacetyleneC2F2
  1550 gem-DifluoroethyleneC2H2F2
  1551 CH3CF2, cationC2H3F2
  1552 1,1-DifluoroethaneC2H4F2
  1553 F2BCHCH2H3BC2F2
  1554 1,2-DifluorobenzeneC6H4F2
  1555 1,3-DifluorobenzeneC6H4F2
  1556 1,4-Difluorobenzene C6H4F2
  1557 Phenyldifluoroborane (Geo)H5BC6F2
  1558 NF2.NF2
  1559 Difluoro nitrogen, anionNF2
  1560 Aminodifluoroborane (Geo)H2BNF2
  1561 t-ButyldifluoroamineC4H9NF2
  1562 N,N'-DifluorobenzylamineC7H7NF2
  1563 cis-DifluorodiazeneN2F2
  1564 trans-DifluorodiazeneN2F2
  1565 NF2-CN (Geo)CN2F2
  1566 Difluorine oxideOF2


DHf: -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).
  
 PM7
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