Accuracy

1,1-difluoroethane   1549 1,1-Difluoroethane

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    #  Species Formula
  1539 Difluoromethylene (Geo)CF2
  1540 DifluoromethyleneCF2
  1541 Difluoromethyl, cationHCF2
  1542 Difluoromethane, cationCH2F2
  1543 DifluoromethaneCH2F2
  1544 DifluoromethylboraneH3BCF2
  1545 MethyldifluoroboraneH3BCF2
  1546 DifluoroacetyleneC2F2
  1547 gem-DifluoroethyleneC2H2F2
  1548 CH3CF2, cationC2H3F2
  1549 1,1-Difluoroethane C2H4F2
  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
  1557 Aminodifluoroborane (Geo)H2BNF2
  1558 t-ButyldifluoroamineC4H9NF2
  1559 N,N'-DifluorobenzylamineC7H7NF2


ΔHf: -118.8 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 2.3 Debye,     REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Freeman, San Francisco, 1963.
I.P.: 12.8 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
1,1-Difluoroethane
 D=2.3 H=-118.8 HR=C&P1970 I=12.8 IR=LLNBS82 DR=MCC1963
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52348406 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.34830601 +1  110.4515780 +1    0.0000000 +0     2     1     0
  F     1.34844791 +1  110.4311837 +1  111.7296840 +1     2     1     3
  H     1.13064596 +1  113.9432780 +1 -124.1653994 +1     2     1     3
  H     1.09832155 +1  111.3300341 +1   63.6154931 +1     1     2     3
  H     1.09825572 +1  111.3186351 +1 -176.3530872 +1     1     2     3
  H     1.10089142 +1  112.5719328 +1  -56.3609090 +1     1     2     3