Accuracy

perfluorocyclobutane   1640 Perfluorocyclobutane

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  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-eneC4F8
  1640 Perfluorocyclobutane C4F8
  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
  1650 DodecafluorocyclohexaneC6F12


ΔHf: -369.5 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
Perfluorocyclobutane
 H=-369.5 HR=C&P1970
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.23964140 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.58344070 +1   45.0177238 +1    0.0000000 +0     1     2     0
  C     1.58342358 +1   45.0364072 +1  179.9786911 +1     2     1     3
  F     1.32129864 +1  126.8995739 +1  -90.0452568 +1     1     2     3
  F     1.32138488 +1  126.8242418 +1   90.0447709 +1     1     2     3
  F     1.32132935 +1  126.8903296 +1   89.9526253 +1     2     1     3
  F     1.32141679 +1  126.8171733 +1  -89.9520393 +1     2     1     3
  F     1.32134452 +1  115.1116517 +1  117.8857947 +1     3     1     2
  F     1.32133030 +1  115.1453063 +1 -117.9335474 +1     3     1     2
  F     1.32131452 +1  115.1141603 +1  117.8846750 +1     4     2     1
  F     1.32126952 +1  115.1572965 +1 -117.9548922 +1     4     2     1