PM7 Accuracy

1,2,4,5-tetrafluorobenzene   1617 1,2,4,5-Tetrafluorobenzene

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    #  Species Formula
  1607 Be(II)F4(2-) (KIPPEE) (Geo)BeF4
  1608 Be(II)F4(2-) (KIPPEE)BeF4
  1609 Fluoroboric acid anion (Geo)BF4
  1610 Fluoroboric acid anionBF4
  1611 B2F4 (Geo)B2F4
  1612 TetrafluorodiboraneB2F4
  1613 Carbon tetrafluorideCF4
  1614 Carbon tetrafluoride (Geo)CF4
  1615 Tetrafluoroethylene (Geo)C2F4
  1616 TetrafluoroethyleneC2F4
  1617 1,2,4,5-Tetrafluorobenzene C6H2F4
  1618 1-Fluoro-3-(trifluoro-methyl)benzeneC7H4F4
  1619 TetrafluorohydrazineN2F4
  1620 N,N,N',N'-tetrafluoro-1,1-cyclohexanediamineC6H10N2F4
  1621 N,N,N',N'-Tetrafluoro-4-methyl-1,2-pentaneC6H12N2F4
  1622 1,1-Bis(difluoroamine)heptaneC7H14N2F4
  1623 PerfluoromethanolCOF4
  1624 Bis(fluoroxy)perfluoromethaneCO2F4
  1625 PentafluorobenzeneHC6F5
  1626 2,3,4,5,6-PentafluorotolueneC7H3F5
  1627 PentafluoromethylamineCNF5


DHf: -154.6 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
1,2,4,5-Tetrafluorobenzene
 H=-154.6 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39306282  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.40137518  1  121.3391324  1    0.0000000  0     2     1     0
  C     1.39311542  1  121.2442456  1   -0.0440992  1     3     2     1
  C     1.39300064  1  117.4361303  1    0.0090587  1     4     3     2
  C     1.39302779  1  117.3967681  1    0.0363651  1     1     2     3
  F     1.31959331  1  119.7415974  1  179.9864064  1     6     1     2
  F     1.31959764  1  119.7440726  1 -179.9908475  1     5     4     3
  H     1.09302538  1  121.3163944  1  179.9867135  1     1     2     6
  F     1.31961850  1  119.6784144  1  179.9683156  1     2     1     3
  F     1.31945550  1  119.0096760  1 -179.9909440  1     3     2     4
  H     1.09317074  1  121.2801152  1  179.9985984  1     4     3     5