Accuracy

n,n,n',n'-tetrafluoro-1,1-cyclohexanediamine   1327 N,N,N',N'-tetrafluoro-1,1-cyclohexanediamine

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

    

    #  Species Formula
  1317 TrifluoromethylisocyanideC2NF3
  1318 F3NONOF3
  1319 Trifluoroacetic acidHC2O2F3
  1320 Carbon tetrafluorideCF4
  1321 Carbon tetrafluoride (Geo)CF4
  1322 Tetrafluoroethylene (Geo)C2F4
  1323 TetrafluoroethyleneC2F4
  1324 1,2,4,5-TetrafluorobenzeneC6H2F4
  1325 1-Fluoro-3-(trifluoro-methyl)benzeneC7H4F4
  1326 TetrafluorohydrazineN2F4
  1327 N,N,N',N'-tetrafluoro-1,1-cyclohexanediamine C6H10N2F4
  1328 N,N,N',N'-Tetrafluoro-4-methyl-1,2-pentaneC6H12N2F4
  1329 1,1-Bis(difluoroamine)heptaneC7H14N2F4
  1330 PerfluoromethanolCOF4
  1331 Bis(fluoroxy)perfluoromethaneCO2F4
  1332 PentafluorobenzeneHC6F5
  1333 2,3,4,5,6-PentafluorotolueneC7H3F5
  1334 PentafluoromethylamineCNF5
  1335 PentafluoroguanidineCN3F5
  1336 PentafluorophenolHC6OF5
  1337 Hexafluoroethane (Geo)C2F6


ΔHf: -41.6 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.
  

N,N,N',N'-tetrafluoro-1,1-cyclohexanediamine
 H=-41.6 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53240037 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53311231 +1  110.6714026 +1    0.0000000 +0     2     1     0
  C     1.53247682 +1  110.4206501 +1  -57.6544719 +1     3     2     1
  C     1.53417886 +1  110.9556775 +1   57.4748062 +1     4     3     2
  C     1.55050927 +1  110.6975215 +1   57.6372358 +1     1     2     3
  N     1.50527836 +1  107.9136417 +1   61.0452847 +1     6     1     2
  N     1.51261658 +1  106.4681923 +1  178.0437367 +1     6     1     2
  F     1.37464164 +1  108.6219793 +1  175.8817204 +1     8     6     1
  F     1.37405456 +1  108.9561600 +1   68.8516933 +1     8     6     1
  F     1.37444881 +1  109.2725017 +1   67.6913290 +1     7     6     1
  F     1.37543873 +1  109.0392929 +1  175.0003964 +1     7     6     1
  H     1.10814916 +1  109.2806170 +1  -63.3726576 +1     1     2     3
  H     1.10774554 +1  110.4976806 +1 -178.9745984 +1     1     2     3
  H     1.10904616 +1  110.2844212 +1  -64.1478375 +1     2     1     6
  H     1.10606830 +1  109.7950586 +1  179.7074460 +1     2     1     6
  H     1.10655688 +1  109.9090990 +1 -179.1078640 +1     3     2     1
  H     1.10558840 +1  110.2636940 +1   64.5321271 +1     3     2     1
  H     1.10929138 +1  109.8776650 +1  -64.5617472 +1     4     3     2
  H     1.10649096 +1  110.2325615 +1  179.2704034 +1     4     3     2
  H     1.10624934 +1  109.7458963 +1  178.6505901 +1     5     4     3
  H     1.10854365 +1  109.0186947 +1   63.5495159 +1     5     4     3