Accuracy

octafluorotoluene   1641 Octafluorotoluene

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    #  Species Formula
  1631 HexafluorodimethylamineCN2F6
  1632 Dimethyl perfluoroether (Geo)C2OF6
  1633 Dimethyl perfluoroetherC2OF6
  1634 PerfluoroacetoneC3OF6
  1635 Hexafluoropentanedioic acid, dimethyl esterC7H6O4F6
  1636 Heptafluoromethane triamineCN3F7
  1637 Perfluoropropane (Geo)C3F8
  1638 PerfluoropropaneC3F8
  1639 Perfluorobut-2-eneC4F8
  1640 PerfluorocyclobutaneC4F8
  1641 Octafluorotoluene C7F8
  1642 OctafluoromethanetetramineCN4F8
  1643 Perfluorodimethoxymethane (Geo)C3O2F8
  1644 PerfluorodimethoxymethaneC3O2F8
  1645 Perfluoro-n-butane (Geo)C4F10
  1646 n-PerfluorobutaneC4F10
  1647 DecafluorocyclohexeneC6F10
  1648 UndecafluoropiperidineC5NF11
  1649 Tetrakis(difluoroamine)-N-1,1-trifluorodimethylamineC2N5F11
  1650 DodecafluorocyclohexaneC6F12
  1651 Bis-(n-perfluoropropyl ether)C6OF14


ΔHf: -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