PM7 Accuracy

decafluorocyclohexene   1650 Decafluorocyclohexene

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    #  Species Formula
  1640 Perfluoropropane (Geo)C3F8
  1641 PerfluoropropaneC3F8
  1642 Perfluorobut-2-eneC4F8
  1643 PerfluorocyclobutaneC4F8
  1644 OctafluorotolueneC7F8
  1645 OctafluoromethanetetramineCN4F8
  1646 Perfluorodimethoxymethane (Geo)C3O2F8
  1647 PerfluorodimethoxymethaneC3O2F8
  1648 Perfluoro-n-butane (Geo)C4F10
  1649 n-PerfluorobutaneC4F10
  1650 Decafluorocyclohexene C6F10
  1651 UndecafluoropiperidineC5NF11
  1652 Tetrakis(difluoroamine)-N-1,1-trifluorodimethylamineC2N5F11
  1653 DodecafluorocyclohexaneC6F12
  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


DHf: -461.9 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
Decafluorocyclohexene
 H=-461.9 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.51013306  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.34001887  1  124.4411726  1    0.0000000  0     2     1     0
  C     1.51032179  1  124.5436533  1   -2.3921960  1     3     2     1
  C     1.57091139  1  112.1820269  1   14.9609274  1     4     3     2
  C     1.56451691  1  111.6763317  1  -41.2347748  1     5     4     3
  F     1.33427830  1  111.2544419  1  139.6525197  1     1     2     3
  F     1.33693062  1  110.5148947  1  114.9088375  1     1     2     7
  F     1.31584377  1  114.2336328  1  178.9520734  1     2     1     3
  F     1.31590660  1  121.2963714  1 -178.8769881  1     3     2     4
  F     1.33448393  1  111.2331135  1  123.3307419  1     4     3     5
  F     1.33719669  1  110.3591089  1  114.8075645  1     4     3    11
  F     1.33355876  1  109.6429439  1  121.6491796  1     5     4     6
  F     1.33031113  1  110.5327896  1  114.8009601  1     5     4    13
  F     1.33023887  1  110.6569473  1  179.7626171  1     6     5     4
  F     1.33374855  1  109.5653869  1  114.7890240  1     6     5    15