Accuracy

chlorotrifluoroethene   2426 Chlorotrifluoroethene

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

    

    #  Species Formula
  2416 Perchloryl fluorideO3FCl
  2417 ClF2F2Cl
  2418 BClF2 (Geo)BF2Cl
  2419 ChlorodifluorboraneBF2Cl
  2420 Chlorodifluoromethane (Geo)HCF2Cl
  2421 DifluorochloromethaneHCF2Cl
  2422 NClF2NF2Cl
  2423 Chlorine trifluorideF3Cl
  2424 Chlorine trifluoride (Geo)F3Cl
  2425 TrifluorochloromethaneCF3Cl
  2426 Chlorotrifluoroethene C2F3Cl
  2427 Chlorine pentafluorideF5Cl
  2428 Chlorine pentafluoride (Geo)F5Cl
  2429 ChloropentafluoroethaneC2F5Cl
  2430 ChloropentafluorobenzeneC6F5Cl
  2431 1,1,2-Trifluoro-2-chloroethyl dodecafluoroheptyletherC9H4OF15Cl
  2432 1,1,2-Trifluoro-2-chloroethyl perfluoroheptyletherC9H4OF15Cl
  2433 Neon chloride anion (Geo)NeCl
  2434 Sodium chloride, cationNaCl
  2435 Sodium chloride (Geo)NaCl
  2436 Sodium chlorideNaCl


ΔHf: -132.7 kcal/mol,     REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  
 PM7
Chlorotrifluoroethene
 H=-132.7 HR=WHSMC03
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.33582269 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     1.68213410 +1  124.0791517 +1    0.0000000 +0     1     2     0
  F     1.31538575 +1  122.3909558 +1  179.9923145 +1     1     2     3
  F     1.30851364 +1  126.1231505 +1  179.9836228 +1     2     1     3
  F     1.30963784 +1  125.0204325 +1  179.9954824 +1     2     1     5