PM7 Accuracy

dodecafluorocyclohexane   1653 Dodecafluorocyclohexane

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    #  Species Formula
  1643 PerfluorocyclobutaneC4F8
  1644 OctafluorotolueneC7F8
  1645 OctafluoromethanetetramineCN4F8
  1646 Perfluorodimethoxymethane (Geo)C3O2F8
  1647 PerfluorodimethoxymethaneC3O2F8
  1648 Perfluoro-n-butane (Geo)C4F10
  1649 n-PerfluorobutaneC4F10
  1650 DecafluorocyclohexeneC6F10
  1651 UndecafluoropiperidineC5NF11
  1652 Tetrakis(difluoroamine)-N-1,1-trifluorodimethylamineC2N5F11
  1653 Dodecafluorocyclohexane C6F12
  1654 Bis-(n-perfluoropropyl ether)C6OF14
  1655 PerfluorotriethylamineC6NF15
  1656 PerfluoroheptaneC7F16
  1657 cis-Perfluorobicyclo[4,3,0]nonaneC9F16
  1658 trans-Perfluorobicyclo[4,3,0]nonaneC9F16
  1659 Perfluoro 3-ethyl 2,4 dimethyl pent-2-enC9F18
  1660 Perfluoro cis decalinC10F18
  1661 Perfluoro-di(n-butyl) etherC8OF18
  1662 Perfluoro-2,7-dimethyloctaneC10F22
  1663 PerfluorotributylamineC12NF27


DHf: -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