PM7 Accuracy

pentafluoroguanidine   1628 Pentafluoroguanidine

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  Species Formula
  1618 1-Fluoro-3-(trifluoro-methyl)benzeneC7H4F4
  1619 TetrafluorohydrazineN2F4
  1620 N,N,N',N'-tetrafluoro-1,1-cyclohexanediamineC6H10N2F4
  1621 N,N,N',N'-Tetrafluoro-4-methyl-1,2-pentaneC6H12N2F4
  1622 1,1-Bis(difluoroamine)heptaneC7H14N2F4
  1623 PerfluoromethanolCOF4
  1624 Bis(fluoroxy)perfluoromethaneCO2F4
  1625 PentafluorobenzeneHC6F5
  1626 2,3,4,5,6-PentafluorotolueneC7H3F5
  1627 PentafluoromethylamineCNF5
  1628 Pentafluoroguanidine CN3F5
  1629 PentafluorophenolHC6OF5
  1630 Hexafluoroethane (Geo)C2F6
  1631 HexafluoroethaneC2F6
  1632 PerfluorobutadieneC4F6
  1633 HexafluorobenzeneC6F6
  1634 HexafluorodimethylamineCN2F6
  1635 Dimethyl perfluoroether (Geo)C2OF6
  1636 Dimethyl perfluoroetherC2OF6
  1637 PerfluoroacetoneC3OF6
  1638 Hexafluoropentanedioic acid, dimethyl esterC7H6O4F6


DHf: 22.9 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
Pentafluoroguanidine
 H=22.87 HR=NIST
  N     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.46948371  1    0.0000000  0    0.0000000  0     1     0     0
  N     1.46977875  1  115.2551181  1    0.0000000  0     2     1     0
  N     1.28702937  1  121.1200589  1  179.3253659  1     2     1     3
  F     1.37281520  1  109.5364662  1 -154.2081495  1     1     2     3
  F     1.37661663  1  107.5868003  1   97.8402886  1     1     2     3
  F     1.37599602  1  107.5971800  1   72.3189385  1     3     2     1
  F     1.37282674  1  109.3392636  1  -35.6685153  1     3     2     1
  F     1.36335651  1  116.3741248  1 -175.8240361  1     4     2     1