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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

PBE1PBE/6-31G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.2619 0.7046 0.5105   0.6776 0.5105 0.3253
C2 -0.2619 -0.7046 0.5105   -0.6776 0.5105 -0.3253
F3 -0.2619 1.4116 -0.5483   1.4297 -0.5483 -0.1314
F4 0.2619 -1.4116 -0.5483   -1.4297 -0.5483 0.1314
H5 -0.0207 1.2038 1.4467   1.2007 1.4467 0.0897
H6 1.3550 0.6988 0.4249   0.5717 0.4249 1.4133
H7 0.0207 -1.2038 1.4467   -1.2007 1.4467 -0.0897
H8 -1.3550 -0.6988 0.4249   -0.5717 0.4249 -1.4133
Atom - Atom Distances (Å)
  C1 C2 F3 F4 H5 H6 H7 H8
C1 1.5034 1.3767 2.3663 1.0980 1.0965 2.1394 2.1427
C2 1.5034 2.3663 1.3767 2.1394 2.1427 1.0980 1.0965
F3 1.3767 2.3663 2.8714 2.0203 2.0173 3.3016 2.5683
F4 2.3663 1.3767 2.8714 3.3016 2.5683 2.0203 2.0173
H5 1.0980 2.1394 2.0203 3.3016 1.7866 2.4080 2.5386
H6 1.0965 2.1427 2.0173 2.5683 1.7866 2.5386 3.0492
H7 2.1394 1.0980 3.3016 2.0203 2.4080 2.5386 1.7866
H8 2.1427 1.0965 2.5683 2.0173 2.5386 3.0492 1.7866
Maximum atom distance is 3.3016Å 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 110.418 C2 C1 F3 110.418
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 109.666 C1 C2 H8 110.020
C2 C1 H5 109.666 C2 C1 H6 110.020
F3 C1 H5 108.929 F3 C1 H6 108.778
F4 C2 H7 108.929 F4 C2 H8 108.778
H5 C1 H6 108.999 H7 C2 H8 108.999

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