PM7 Accuracy

octafluorotoluene   1644 Octafluorotoluene

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    #  Species Formula
  1634 HexafluorodimethylamineCN2F6
  1635 Dimethyl perfluoroether (Geo)C2OF6
  1636 Dimethyl perfluoroetherC2OF6
  1637 PerfluoroacetoneC3OF6
  1638 Hexafluoropentanedioic acid, dimethyl esterC7H6O4F6
  1639 Heptafluoromethane triamineCN3F7
  1640 Perfluoropropane (Geo)C3F8
  1641 PerfluoropropaneC3F8
  1642 Perfluorobut-2-eneC4F8
  1643 PerfluorocyclobutaneC4F8
  1644 Octafluorotoluene C7F8
  1645 OctafluoromethanetetramineCN4F8
  1646 Perfluorodimethoxymethane (Geo)C3O2F8
  1647 PerfluorodimethoxymethaneC3O2F8
  1648 Perfluoro-n-butane (Geo)C4F10
  1649 n-PerfluorobutaneC4F10
  1650 DecafluorocyclohexeneC6F10
  1651 UndecafluoropiperidineC5NF11
  1652 Tetrakis(difluoroamine)-N-1,1-trifluorodimethylamineC2N5F11
  1653 DodecafluorocyclohexaneC6F12
  1654 Bis-(n-perfluoropropyl ether)C6OF14


DHf: -356.8 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
Octafluorotoluene
 H=-356.8 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39874998  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39841485  1  119.6645745  1    0.0000000  0     2     1     0
  C     1.39768675  1  119.6900112  1   -0.0356300  1     3     2     1
  C     1.40006996  1  119.8841025  1   -0.0400588  1     4     3     2
  C     1.39628886  1  121.1426857  1    0.0507651  1     5     4     3
  C     1.50015987  1  122.3254872  1 -179.8744390  1     6     5     4
  F     1.31532841  1  118.9754215  1 -179.9838900  1     1     2     3
  F     1.31712331  1  120.1474144  1  179.9788592  1     2     1     3
  F     1.31406701  1  120.1716031  1  179.9797631  1     3     2     4
  F     1.31717028  1  120.0801257  1 -179.9962869  1     4     3     5
  F     1.31483139  1  118.5925507  1 -179.9532523  1     5     4     6
  F     1.33158157  1  113.0031620  1 -120.5985720  1     7     6     5
  F     1.33167610  1  112.9192642  1 -119.3088194  1     7     6    13
  F     1.32953592  1  114.6807813  1 -120.2888868  1     7     6    14