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Geometry for C2H4F2 (1,2-difluoroethane) 1A C2 gauche

1910171554
InChI=1S/C2H4F2/c3-1-2-4/h1-2H2 INChIKey=AHFMSNDOYCFEPH-UHFFFAOYSA-N

HSEh1PBE/6-31G(2df,p)


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.2578 0.7065 0.5102   0.6805 0.5102 0.3201
C2 -0.2578 -0.7065 0.5102   -0.6805 0.5102 -0.3201
F3 -0.2578 1.4013 -0.5491   1.4188 -0.5491 -0.1310
F4 0.2578 -1.4013 -0.5491   -1.4188 -0.5491 0.1310
H5 -0.0330 1.2028 1.4457   1.2009 1.4457 0.0750
H6 1.3524 0.7048 0.4350   0.5806 0.4350 1.4102
H7 0.0330 -1.2028 1.4457   -1.2009 1.4457 -0.0750
H8 -1.3524 -0.7048 0.4350   -0.5806 0.4350 -1.4102
Atom - Atom Distances (Å)
  C1 C2 F3 F4 H5 H6 H7 H8
C1 1.5040 1.3677 2.3590 1.0982 1.0972 2.1380 2.1424
C2 1.5040 2.3590 1.3677 2.1380 2.1424 1.0982 1.0972
F3 1.3677 2.3590 2.8496 2.0172 2.0115 3.2932 2.5695
F4 2.3590 1.3677 2.8496 3.2932 2.5695 2.0172 2.0115
H5 1.0982 2.1380 2.0172 3.2932 1.7858 2.4065 2.5300
H6 1.0972 2.1424 2.0115 2.5695 1.7858 2.5300 3.0501
H7 2.1380 1.0982 3.2932 2.0172 2.4065 2.5300 1.7858
H8 2.1424 1.0972 2.5695 2.0115 2.5300 3.0501 1.7858
Maximum atom distance is 3.2932Å between atoms F3 and H7.
picture of 1,2-difluoroethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F4 110.369 C2 C1 F3 110.369
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 109.500 C1 C2 H8 109.908
C2 C1 H5 109.500 C2 C1 H6 109.908
F3 C1 H5 109.290 F3 C1 H6 108.892
F4 C2 H7 109.290 F4 C2 H8 108.892
H5 C1 H6 108.856 H7 C2 H8 108.856

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.