Accuracy

difluoroacetylene   1546 Difluoroacetylene

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

    

    #  Species Formula
  1536 BHF2HBF2
  1537 HBF2 (Geo)HBF2
  1538 Difluoroborane (1)HBF2
  1539 Difluoromethylene (Geo)CF2
  1540 DifluoromethyleneCF2
  1541 Difluoromethyl, cationHCF2
  1542 Difluoromethane, cationCH2F2
  1543 DifluoromethaneCH2F2
  1544 DifluoromethylboraneH3BCF2
  1545 MethyldifluoroboraneH3BCF2
  1546 Difluoroacetylene C2F2
  1547 gem-DifluoroethyleneC2H2F2
  1548 CH3CF2, cationC2H3F2
  1549 1,1-DifluoroethaneC2H4F2
  1550 F2BCHCH2H3BC2F2
  1551 1,2-DifluorobenzeneC6H4F2
  1552 1,3-DifluorobenzeneC6H4F2
  1553 1,4-DifluorobenzeneC6H4F2
  1554 Phenyldifluoroborane (Geo)H5BC6F2
  1555 NF2.NF2
  1556 Difluoro nitrogen, anionNF2


ΔHf: 5.0 kcal/mol,     REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
I.P.: 11.2 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 PM7
Difluoroacetylene
 H=5 I=11.2 IR=LLNBS82 HR=JANAF86
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.20310073 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.27689842 +1  180.0000000 +0    0.0000000 +0     2     1     0
  F     1.27690414 +1  179.0000000 +0    0.0000000 +0     1     2     3