Accuracy

2,3,4,5,6-pentafluorotoluene   1623 2,3,4,5,6-Pentafluorotoluene

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    #  Species Formula
  1613 TetrafluoroethyleneC2F4
  1614 1,2,4,5-TetrafluorobenzeneC6H2F4
  1615 1-Fluoro-3-(trifluoro-methyl)benzeneC7H4F4
  1616 TetrafluorohydrazineN2F4
  1617 N,N,N',N'-tetrafluoro-1,1-cyclohexanediamineC6H10N2F4
  1618 N,N,N',N'-Tetrafluoro-4-methyl-1,2-pentaneC6H12N2F4
  1619 1,1-Bis(difluoroamine)heptaneC7H14N2F4
  1620 PerfluoromethanolCOF4
  1621 Bis(fluoroxy)perfluoromethaneCO2F4
  1622 PentafluorobenzeneHC6F5
  1623 2,3,4,5,6-Pentafluorotoluene C7H3F5
  1624 PentafluoromethylamineCNF5
  1625 PentafluoroguanidineCN3F5
  1626 PentafluorophenolHC6OF5
  1627 Hexafluoroethane (Geo)C2F6
  1628 HexafluoroethaneC2F6
  1629 PerfluorobutadieneC4F6
  1630 HexafluorobenzeneC6F6
  1631 HexafluorodimethylamineCN2F6
  1632 Dimethyl perfluoroether (Geo)C2OF6
  1633 Dimethyl perfluoroetherC2OF6


ΔHf: -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