Accuracy

perfluorobut-2-ene   1639 Perfluorobut-2-ene

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    #  Species Formula
  1629 PerfluorobutadieneC4F6
  1630 HexafluorobenzeneC6F6
  1631 HexafluorodimethylamineCN2F6
  1632 Dimethyl perfluoroether (Geo)C2OF6
  1633 Dimethyl perfluoroetherC2OF6
  1634 PerfluoroacetoneC3OF6
  1635 Hexafluoropentanedioic acid, dimethyl esterC7H6O4F6
  1636 Heptafluoromethane triamineCN3F7
  1637 Perfluoropropane (Geo)C3F8
  1638 PerfluoropropaneC3F8
  1639 Perfluorobut-2-ene C4F8
  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


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