PM7 Accuracy

difluoromethane   1546 Difluoromethane

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    #  Species Formula
  1536 Lithium fluoride, dimerLi2F2
  1537 Beryllium difluoride (Geo)BeF2
  1538 Beryllium difluorideBeF2
  1539 BHF2HBF2
  1540 HBF2 (Geo)HBF2
  1541 Difluoroborane (1)HBF2
  1542 Difluoromethylene (Geo)CF2
  1543 DifluoromethyleneCF2
  1544 Difluoromethyl, cationHCF2
  1545 Difluoromethane, cationCH2F2
  1546 Difluoromethane CH2F2
  1547 DifluoromethylboraneH3BCF2
  1548 MethyldifluoroboraneH3BCF2
  1549 DifluoroacetyleneC2F2
  1550 gem-DifluoroethyleneC2H2F2
  1551 CH3CF2, cationC2H3F2
  1552 1,1-DifluoroethaneC2H4F2
  1553 F2BCHCH2H3BC2F2
  1554 1,2-DifluorobenzeneC6H4F2
  1555 1,3-DifluorobenzeneC6H4F2
  1556 1,4-DifluorobenzeneC6H4F2


DHf: -108.1 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 2.0 Debye,     REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Freeman, San Francisco, 1963.
I.P.: 13.2 eV,     REF: M. S. Banna, B. E. Mills, D. W. Davis, D. A. Shirley, J. Chem. Phys., 61, 4780 (1974).
  
 SYMMETRY PM7
Difluoromethane
 I=13.17 D=1.96 H=-108.13 HR=C&P1970 DR=MCC1963 IR=BMDS1974
  H     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.12305828  1    0.0000000  0    0.0000000  0     1     0     0
  F     1.34811701  1  110.4412690  1    0.0000000  0     2     1     0
  F     1.34811701  0  110.3643829  1 -112.5105150  1     2     1     3
  H     1.12305828  0  112.4484637  1  123.8069189  1     2     1     3
 
   3  1    4
   2  1    5