PM7 Accuracy

2,3,4,5,6-pentafluorotoluene   1626 2,3,4,5,6-Pentafluorotoluene

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    #  Species Formula
  1616 TetrafluoroethyleneC2F4
  1617 1,2,4,5-TetrafluorobenzeneC6H2F4
  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-Pentafluorotoluene C7H3F5
  1627 PentafluoromethylamineCNF5
  1628 PentafluoroguanidineCN3F5
  1629 PentafluorophenolHC6OF5
  1630 Hexafluoroethane (Geo)C2F6
  1631 HexafluoroethaneC2F6
  1632 PerfluorobutadieneC4F6
  1633 HexafluorobenzeneC6F6
  1634 HexafluorodimethylamineCN2F6
  1635 Dimethyl perfluoroether (Geo)C2OF6
  1636 Dimethyl perfluoroetherC2OF6


DHf: -201.6 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
2,3,4,5,6-Pentafluorotoluene
 H=-201.6 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39751173  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39714110  1  119.7567671  1    0.0000000  0     2     1     0
  C     1.39555518  1  119.2427111  1   -0.0098826  1     3     2     1
  C     1.40015363  1  119.9917035  1   -0.0098626  1     4     3     2
  C     1.39873750  1  122.0153256  1    0.0098726  1     5     4     3
  C     1.48256476  1  122.8866778  1 -179.9746790  1     6     5     4
  F     1.31943086  1  118.1953123  1  179.9573662  1     1     2     3
  F     1.31726653  1  120.1427816  1 -179.9762247  1     2     1     3
  F     1.31629097  1  120.3514709  1  179.9942777  1     3     2     4
  F     1.31736022  1  120.0471669  1  179.9946440  1     4     3     5
  F     1.31923354  1  117.7054629  1 -179.9941966  1     5     4     6
  H     1.10389603  1  111.5875494  1 -121.2233384  1     7     6     5
  H     1.10388726  1  111.5352000  1 -119.3156500  1     7     6    13
  H     1.09967539  1  114.0531712  1 -120.3577543  1     7     6    14