PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

decafluorocyclohexene   1649 Decafluorocyclohexene

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    #  Species Formula
  1639 Perfluoropropane (Geo)C3F8
  1640 PerfluoropropaneC3F8
  1641 Perfluorobut-2-eneC4F8
  1642 PerfluorocyclobutaneC4F8
  1643 OctafluorotolueneC7F8
  1644 OctafluoromethanetetramineCN4F8
  1645 Perfluorodimethoxymethane (Geo)C3O2F8
  1646 PerfluorodimethoxymethaneC3O2F8
  1647 Perfluoro-n-butane (Geo)C4F10
  1648 n-PerfluorobutaneC4F10
  1649 Decafluorocyclohexene C6F10
  1650 UndecafluoropiperidineC5NF11
  1651 Tetrakis(difluoroamine)-N-1,1-trifluorodimethylamineC2N5F11
  1652 DodecafluorocyclohexaneC6F12
  1653 Bis-(n-perfluoropropyl ether)C6OF14
  1654 PerfluorotriethylamineC6NF15
  1655 PerfluoroheptaneC7F16
  1656 cis-Perfluorobicyclo[4,3,0]nonaneC9F16
  1657 trans-Perfluorobicyclo[4,3,0]nonaneC9F16
  1658 Perfluoro 3-ethyl 2,4 dimethyl pent-2-enC9F18
  1659 Perfluoro cis decalinC10F18


ΔHf: -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