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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

CCSD/cc-pVDZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.2651 0.7080 0.5125   0.5354 0.2150 0.7080
C2 -0.2651 -0.7080 0.5125   0.4849 -0.3128 -0.7080
F3 -0.2651 1.4204 -0.5501   -0.5728 -0.2114 1.4204
F4 0.2651 -1.4204 -0.5501   -0.5223 0.3163 -1.4204
H5 -0.0209 1.2102 1.4558   1.4471 -0.1597 1.2102
H6 1.3659 0.7008 0.4199   0.5483 1.3196 0.7008
H7 0.0209 -1.2102 1.4558   1.4511 -0.1181 -1.2102
H8 -1.3659 -0.7008 0.4199   0.2876 -1.3997 -0.7008
Atom - Atom Distances (Å)
  C1 C2 F3 F4 H5 H6 H7 H8
C1 1.5121 1.3847 2.3789 1.1062 1.1047 2.1515 2.1572
C2 1.5121 2.3789 1.3847 2.1515 2.1572 1.1062 1.1047
F3 1.3847 2.3789 2.8898 2.0315 2.0295 3.3204 2.5791
F4 2.3789 1.3847 2.8898 3.3204 2.5791 2.0315 2.0295
H5 1.1062 2.1515 2.0315 3.3204 1.8043 2.4207 2.5561
H6 1.1047 2.1572 2.0295 2.5791 1.8043 2.5561 3.0704
H7 2.1515 1.1062 3.3204 2.0315 2.4207 2.5561 1.8043
H8 2.1572 1.1047 2.5791 2.0295 2.5561 3.0704 1.8043
Maximum atom distance is 3.3204Å 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 110.336 C2 C1 F3 110.336
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 109.540 C1 C2 H8 110.071
C2 C1 H5 109.540 C2 C1 H6 110.071
F3 C1 H5 108.775 F3 C1 H6 108.698
F4 C2 H7 108.775 F4 C2 H8 108.698
H5 C1 H6 109.393 H7 C2 H8 109.393

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