Accuracy

dodecafluorocyclohexane   1650 Dodecafluorocyclohexane

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

    

    #  Species Formula
  1640 PerfluorocyclobutaneC4F8
  1641 OctafluorotolueneC7F8
  1642 OctafluoromethanetetramineCN4F8
  1643 Perfluorodimethoxymethane (Geo)C3O2F8
  1644 PerfluorodimethoxymethaneC3O2F8
  1645 Perfluoro-n-butane (Geo)C4F10
  1646 n-PerfluorobutaneC4F10
  1647 DecafluorocyclohexeneC6F10
  1648 UndecafluoropiperidineC5NF11
  1649 Tetrakis(difluoroamine)-N-1,1-trifluorodimethylamineC2N5F11
  1650 Dodecafluorocyclohexane C6F12
  1651 Bis-(n-perfluoropropyl ether)C6OF14
  1652 PerfluorotriethylamineC6NF15
  1653 PerfluoroheptaneC7F16
  1654 cis-Perfluorobicyclo[4,3,0]nonaneC9F16
  1655 trans-Perfluorobicyclo[4,3,0]nonaneC9F16
  1656 Perfluoro 3-ethyl 2,4 dimethyl pent-2-enC9F18
  1657 Perfluoro cis decalinC10F18
  1658 Perfluoro-di(n-butyl) etherC8OF18
  1659 Perfluoro-2,7-dimethyloctaneC10F22
  1660 PerfluorotributylamineC12NF27


ΔHf: -590.5 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
Dodecafluorocyclohexane
 H=-590.5 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.56421594 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.56496195 +1  112.0039068 +1    0.0000000 +0     2     1     0
  C     1.56484435 +1  112.1065026 +1  -53.0650981 +1     3     2     1
  C     1.56462114 +1  112.1591196 +1   52.7370323 +1     4     3     2
  C     1.56484051 +1  112.0865166 +1  -52.6698434 +1     5     4     3
  F     1.33092857 +1  110.2882294 +1  176.6769517 +1     1     2     3
  F     1.33350931 +1  109.7048187 +1  114.6275902 +1     1     2     7
  F     1.33099500 +1  110.2968009 +1  123.2476562 +1     2     1     3
  F     1.33335748 +1  109.7679430 +1  114.6803845 +1     2     1     9
  F     1.33110147 +1  110.2088520 +1 -123.2734937 +1     3     2     4
  F     1.33330855 +1  109.7109796 +1 -114.6264436 +1     3     2    11
  F     1.33106888 +1  110.1713324 +1  123.3145774 +1     4     3     5
  F     1.33335713 +1  109.6942050 +1  114.5710776 +1     4     3    13
  F     1.33333869 +1  109.6586527 +1  122.1278562 +1     5     4     6
  F     1.33101524 +1  110.2685721 +1  114.6289965 +1     5     4    15
  F     1.33088478 +1  110.2382370 +1  176.2293916 +1     6     5     4
  F     1.33323410 +1  109.6702382 +1  114.6576412 +1     6     5    17