PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

hexafluorobenzene   1632 Hexafluorobenzene

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    #  Species Formula
  1622 PerfluoromethanolCOF4
  1623 Bis(fluoroxy)perfluoromethaneCO2F4
  1624 PentafluorobenzeneHC6F5
  1625 2,3,4,5,6-PentafluorotolueneC7H3F5
  1626 PentafluoromethylamineCNF5
  1627 PentafluoroguanidineCN3F5
  1628 PentafluorophenolHC6OF5
  1629 Hexafluoroethane (Geo)C2F6
  1630 HexafluoroethaneC2F6
  1631 PerfluorobutadieneC4F6
  1632 Hexafluorobenzene C6F6
  1633 HexafluorodimethylamineCN2F6
  1634 Dimethyl perfluoroether (Geo)C2OF6
  1635 Dimethyl perfluoroetherC2OF6
  1636 PerfluoroacetoneC3OF6
  1637 Hexafluoropentanedioic acid, dimethyl esterC7H6O4F6
  1638 Heptafluoromethane triamineCN3F7
  1639 Perfluoropropane (Geo)C3F8
  1640 PerfluoropropaneC3F8
  1641 Perfluorobut-2-eneC4F8
  1642 PerfluorocyclobutaneC4F8


ΔHf: -242.5 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.
I.P.: 10.9 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 SHIFT=15 PM7
Hexafluorobenzene
 H=-242.5 HR=NIST I=10.9 IR=LLNBS82
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39842649 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39841073 +1  119.9875615 +1    0.0000000 +0     2     1     0
  C     1.39845039 +1  119.9937046 +1   -0.0175104 +1     3     2     1
  C     1.39836221 +1  120.0104374 +1    0.0073931 +1     4     3     2
  C     1.39839419 +1  119.9977145 +1    0.0084722 +1     5     4     3
  F     1.31634066 +1  120.0007496 +1 -179.9907266 +1     1     6     5
  F     1.31632985 +1  119.9856951 +1  179.9828918 +1     5     6     1
  F     1.31632925 +1  119.9888082 +1 -179.9993903 +1     2     1     6
  F     1.31632771 +1  120.0057161 +1  179.9876903 +1     6     1     2
  F     1.31633577 +1  120.0062378 +1  179.9811463 +1     3     2     1
  F     1.31637988 +1  119.9897895 +1 -179.9885200 +1     4     3     2