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

perfluoroacetone   1636 Perfluoroacetone

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    #  Species Formula
  1626 PentafluoromethylamineCNF5
  1627 PentafluoroguanidineCN3F5
  1628 PentafluorophenolHC6OF5
  1629 Hexafluoroethane (Geo)C2F6
  1630 HexafluoroethaneC2F6
  1631 PerfluorobutadieneC4F6
  1632 HexafluorobenzeneC6F6
  1633 HexafluorodimethylamineCN2F6
  1634 Dimethyl perfluoroether (Geo)C2OF6
  1635 Dimethyl perfluoroetherC2OF6
  1636 Perfluoroacetone C3OF6
  1637 Hexafluoropentanedioic acid, dimethyl esterC7H6O4F6
  1638 Heptafluoromethane triamineCN3F7
  1639 Perfluoropropane (Geo)C3F8
  1640 PerfluoropropaneC3F8
  1641 Perfluorobut-2-eneC4F8
  1642 PerfluorocyclobutaneC4F8
  1643 OctafluorotolueneC7F8
  1644 OctafluoromethanetetramineCN4F8
  1645 Perfluorodimethoxymethane (Geo)C3O2F8
  1646 PerfluorodimethoxymethaneC3O2F8


ΔHf: -342.6 kcal/mol,     REF: A. S. Gordon, Int. J. Chem. Kinet., 4, 541 (1972).
I.P.: 12.1 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.
  
 SYMMETRY PM7
Perfluoroacetone
 H=-342.6 HR=GICK1972 I=12.1 IR=LLNBS82
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.18760568 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.54444322 +1  122.0965186 +1    0.0000000 +0     2     1     0
  C     1.54444322 +0  122.0965186 +0  180.0000000 +0     2     1     3
 XX     1.00000000 +0  126.2000000 +0  180.0000000 +0     3     2     1
 XX     1.00000000 +0  126.2000000 +0  180.0000000 +0     4     2     1
  F     1.32599231 +1  111.8366217 +1    0.0000000 +0     3     2     1
  F     1.32738857 +1   53.2866757 +1   92.9437672 +1     3     5     2
  F     1.32738857 +0   53.2866757 +0  -92.9437672 +0     3     5     2
  F     1.32599231 +0  111.8366217 +0    0.0000000 +0     4     2     1
  F     1.32738857 +0   53.2866757 +0   92.9437672 +0     4     6     2
  F     1.32738857 +0   53.2866757 +0  -92.9437672 +0     4     6     2