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

perfluorobut-2-ene   1641 Perfluorobut-2-ene

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    #  Species Formula
  1631 PerfluorobutadieneC4F6
  1632 HexafluorobenzeneC6F6
  1633 HexafluorodimethylamineCN2F6
  1634 Dimethyl perfluoroether (Geo)C2OF6
  1635 Dimethyl perfluoroetherC2OF6
  1636 PerfluoroacetoneC3OF6
  1637 Hexafluoropentanedioic acid, dimethyl esterC7H6O4F6
  1638 Heptafluoromethane triamineCN3F7
  1639 Perfluoropropane (Geo)C3F8
  1640 PerfluoropropaneC3F8
  1641 Perfluorobut-2-ene C4F8
  1642 PerfluorocyclobutaneC4F8
  1643 OctafluorotolueneC7F8
  1644 OctafluoromethanetetramineCN4F8
  1645 Perfluorodimethoxymethane (Geo)C3O2F8
  1646 PerfluorodimethoxymethaneC3O2F8
  1647 Perfluoro-n-butane (Geo)C4F10
  1648 n-PerfluorobutaneC4F10
  1649 DecafluorocyclohexeneC6F10
  1650 UndecafluoropiperidineC5NF11
  1651 Tetrakis(difluoroamine)-N-1,1-trifluorodimethylamineC2N5F11


ΔHf: -389.9 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
Perfluorobut-2-ene
 H=-389.9 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.51256820 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.33857673 +1  125.7172401 +1    0.0000000 +0     2     1     0
  C     1.51213964 +1  125.7990921 +1 -179.9002130 +1     3     2     1
  F     1.32990465 +1  112.7479875 +1  -59.2268586 +1     1     2     3
  F     1.32994660 +1  112.7063255 +1  119.5011351 +1     1     2     5
  F     1.32769325 +1  113.3832224 +1  120.2521760 +1     1     2     6
  F     1.33002749 +1  112.6986698 +1   59.7950086 +1     4     3     2
  F     1.31711828 +1  113.6596563 +1 -179.9588147 +1     2     1     3
  F     1.31726120 +1  120.4886865 +1  179.9687834 +1     3     2     4
  F     1.32995363 +1  112.7262867 +1 -119.4284359 +1     4     3     8
  F     1.32771378 +1  113.4326764 +1 -120.2891810 +1     4     3    11