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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

TPSSh/aug-cc-pVDZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.2712 0.7034 0.5156   0.5390 0.2213 0.7034
C2 -0.2712 -0.7034 0.5156   0.4877 -0.3187 -0.7034
F3 -0.2712 1.4409 -0.5491   -0.5723 -0.2182 1.4409
F4 0.2712 -1.4409 -0.5491   -0.5210 0.3219 -1.4409
H5 -0.0142 1.2119 1.4493   1.4415 -0.1510 1.2119
H6 1.3634 0.7090 0.3989   0.5258 1.3197 0.7090
H7 0.0142 -1.2119 1.4493   1.4442 -0.1227 -1.2119
H8 -1.3634 -0.7090 0.3989   0.2683 -1.3950 -0.7090
Atom - Atom Distances (Å)
  C1 C2 F3 F4 H5 H6 H7 H8
C1 1.5078 1.4042 2.3941 1.1008 1.0984 2.1462 2.1634
C2 1.5078 2.3941 1.4042 2.1462 2.1634 1.1008 1.0984
F3 1.4042 2.3941 2.9324 2.0279 2.0264 3.3335 2.5910
F4 2.3941 1.4042 2.9324 3.3335 2.5910 2.0279 2.0264
H5 1.1008 2.1462 2.0279 3.3335 1.8039 2.4240 2.5717
H6 1.0984 2.1634 2.0264 2.5910 1.8039 2.5717 3.0735
H7 2.1462 1.1008 3.3335 2.0279 2.4240 2.5717 1.8039
H8 2.1634 1.0984 2.5910 2.0264 2.5717 3.0735 1.8039
Maximum atom distance is 3.3335Å 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 110.550 C2 C1 F3 110.550
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 109.737 C1 C2 H8 111.252
C2 C1 H5 109.737 C2 C1 H6 111.252
F3 C1 H5 107.479 F3 C1 H6 107.508
F4 C2 H7 107.479 F4 C2 H8 107.508
H5 C1 H6 110.222 H7 C2 H8 110.222

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