Accuracy

pentafluorobenzene   1622 Pentafluorobenzene

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    #  Species Formula
  1612 Tetrafluoroethylene (Geo)C2F4
  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 Pentafluorobenzene HC6F5
  1623 2,3,4,5,6-PentafluorotolueneC7H3F5
  1624 PentafluoromethylamineCNF5
  1625 PentafluoroguanidineCN3F5
  1626 PentafluorophenolHC6OF5
  1627 Hexafluoroethane (Geo)C2F6
  1628 HexafluoroethaneC2F6
  1629 PerfluorobutadieneC4F6
  1630 HexafluorobenzeneC6F6
  1631 HexafluorodimethylamineCN2F6
  1632 Dimethyl perfluoroether (Geo)C2OF6


ΔHf: -192.5 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 9.8 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.
  
 PM7
Pentafluorobenzene
 H=-192.5 HR=C&P1970 I=9.75 IR=LLNBS82
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39367134 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39993280 +1  121.6728581 +1    0.0000000 +0     2     1     0
  C     1.39753511 +1  119.5159262 +1    0.0000000 +0     3     2     1
  C     1.39747077 +1  119.7243869 +1    0.0000000 +0     4     3     2
  C     1.39997488 +1  119.5619194 +1    0.0000000 +0     5     4     3
  H     1.09362007 +1  121.1251811 +1  180.0000000 +0     1     6     5
  F     1.31716978 +1  120.3222097 +1  180.0000000 +0     5     6     1
  F     1.31849071 +1  119.6412653 +1  180.0000000 +0     2     1     6
  F     1.31840148 +1  119.6825040 +1  180.0000000 +0     6     1     2
  F     1.31717282 +1  120.3620004 +1  180.0000000 +0     3     2     1
  F     1.31600021 +1  120.1150657 +1  180.0000000 +0     4     3     2