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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

HF/cc-pVQZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.2600 0.7046 0.5034   0.5252 0.2124 0.7046
C2 -0.2600 -0.7046 0.5034   0.4773 -0.3053 -0.7046
F3 -0.2600 1.4058 -0.5394   -0.5611 -0.2091 1.4058
F4 0.2600 -1.4058 -0.5394   -0.5132 0.3086 -1.4058
H5 -0.0306 1.1987 1.4219   1.4130 -0.1616 1.1987
H6 1.3372 0.7141 0.4126   0.5341 1.2935 0.7141
H7 0.0306 -1.1987 1.4219   1.4186 -0.1007 -1.1987
H8 -1.3372 -0.7141 0.4126   0.2875 -1.3696 -0.7141
Atom - Atom Distances (Å)
  C1 C2 F3 F4 H5 H6 H7 H8
C1 1.5021 1.3599 2.3540 1.0826 1.0811 2.1258 2.1383
C2 1.5021 2.3540 1.3599 2.1258 2.1383 1.0826 1.0811
F3 1.3599 2.3540 2.8593 1.9855 1.9838 3.2733 2.5614
F4 2.3540 1.3599 2.8593 3.2733 2.5614 1.9855 1.9838
H5 1.0826 2.1258 1.9855 3.2733 1.7676 2.3982 2.5268
H6 1.0811 2.1383 1.9838 2.5614 1.7676 2.5268 3.0319
H7 2.1258 1.0826 3.2733 1.9855 2.3982 2.5268 1.7676
H8 2.1383 1.0811 2.5614 1.9838 2.5268 3.0319 1.7676
Maximum atom distance is 3.2733Å 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 110.572 C2 C1 F3 110.572
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 109.587 C1 C2 H8 110.679
C2 C1 H5 109.587 C2 C1 H6 110.679
F3 C1 H5 108.220 F3 C1 H6 108.178
F4 C2 H7 108.220 F4 C2 H8 108.178
H5 C1 H6 109.554 H7 C2 H8 109.554

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