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

(cf3)2or   1634 Dimethyl perfluoroether (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  1624 PentafluorobenzeneHC6F5
  1625 2,3,4,5,6-PentafluorotolueneC7H3F5
  1626 PentafluoromethylamineCNF5
  1627 PentafluoroguanidineCN3F5
  1628 PentafluorophenolHC6OF5
  1629 Hexafluoroethane (Geo)C2F6
  1630 HexafluoroethaneC2F6
  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-eneC4F8
  1642 PerfluorocyclobutaneC4F8
  1643 OctafluorotolueneC7F8
  1644 OctafluoromethanetetramineCN4F8


REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 PM7
Dimethyl perfluoroether
 <><><C-O-C> GR=PW91D
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.38799884 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.38798864 +1  119.9534940 +1    0.0000000 +0     1     2     0
  F     1.31907000 +1  106.8272692 +1  179.6339682 +1     2     1     3
  F     1.31902222 +1  106.8476123 +1 -179.7747014 +1     3     1     2
  F     1.32177203 +1  111.9523402 +1  119.1255269 +1     2     1     4
  F     1.32163809 +1  112.0741836 +1  121.6777381 +1     2     1     6
  F     1.32179511 +1  111.9512499 +1 -119.1107079 +1     3     1     5
  F     1.32165699 +1  112.0549318 +1 -121.6548129 +1     3     1     8