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

bis(fluoroxy)perfluoromethane   1623 Bis(fluoroxy)perfluoromethane

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  1613 Carbon tetrafluoride (Geo)CF4
  1614 Tetrafluoroethylene (Geo)C2F4
  1615 TetrafluoroethyleneC2F4
  1616 1,2,4,5-TetrafluorobenzeneC6H2F4
  1617 1-Fluoro-3-(trifluoro-methyl)benzeneC7H4F4
  1618 TetrafluorohydrazineN2F4
  1619 N,N,N',N'-tetrafluoro-1,1-cyclohexanediamineC6H10N2F4
  1620 N,N,N',N'-Tetrafluoro-4-methyl-1,2-pentaneC6H12N2F4
  1621 1,1-Bis(difluoroamine)heptaneC7H14N2F4
  1622 PerfluoromethanolCOF4
  1623 Bis(fluoroxy)perfluoromethane CO2F4
  1624 PentafluorobenzeneHC6F5
  1625 2,3,4,5,6-PentafluorotolueneC7H3F5
  1626 PentafluoromethylamineCNF5
  1627 PentafluoroguanidineCN3F5
  1628 PentafluorophenolHC6OF5
  1629 Hexafluoroethane (Geo)C2F6
  1630 HexafluoroethaneC2F6
  1631 PerfluorobutadieneC4F6
  1632 HexafluorobenzeneC6F6
  1633 HexafluorodimethylamineCN2F6


ΔHf: -134.9 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
Bis(fluoroxy)perfluoromethane
 H=-134.9 HR=NIST
  C     0.00366455 +1  -0.00249589 +1  -0.00392604 +1
  F     1.33023866 +1  -0.02969886 +1  -0.07554403 +1
  F    -0.34868139 +1   1.27663811 +1   0.06856738 +1
  O    -0.34820842 +1  -0.69245306 +1   1.16293227 +1
  F    -1.76939279 +1  -0.85713356 +1   1.07881158 +1
  O    -0.57831219 +1  -0.51169238 +1  -1.17148641 +1
  F    -0.38139179 +1  -1.92886294 +1  -1.09434887 +1