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Geometry for CHF2CHF2 (1,1,2,2-tetrafluoroethane) 1AG C2H

1910171554
InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2H INChIKey=WXGNWUVNYMJENI-UHFFFAOYSA-N

CCD/6-31G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2466 0.7160 0.0000   0.0317 -0.2446 0.7160
C2 0.2466 -0.7160 0.0000   -0.0317 0.2446 -0.7160
H3 -1.3390 0.7743 0.0000   0.1719 -1.3279 0.7743
H4 1.3390 -0.7743 0.0000   -0.1719 1.3279 -0.7743
F5 0.2466 1.3368 1.1041   1.0633 0.3863 1.3368
F6 0.2466 1.3368 -1.1041   -1.1266 0.1029 1.3368
F7 -0.2466 -1.3368 1.1041   1.1266 -0.1029 -1.3368
F8 -0.2466 -1.3368 -1.1041   -1.0633 -0.3863 -1.3368
Atom - Atom Distances (Å)
  C1 C2 H3 H4 F5 F6 F7 F8
C1 1.5145 1.0939 2.1760 1.3593 1.3593 2.3308 2.3308
C2 1.5145 2.1760 1.0939 2.3308 2.3308 1.3593 1.3593
H3 1.0939 2.1760 3.0935 2.0124 2.0124 2.6209 2.6209
H4 2.1760 1.0939 3.0935 2.6209 2.6209 2.0124 2.0124
F5 1.3593 2.3308 2.0124 2.6209 2.2082 2.7187 3.5025
F6 1.3593 2.3308 2.0124 2.6209 2.2082 3.5025 2.7187
F7 2.3308 1.3593 2.6209 2.0124 2.7187 3.5025 2.2082
F8 2.3308 1.3593 2.6209 2.0124 3.5025 2.7187 2.2082
Maximum atom distance is 3.5025Å between atoms F5 and F8.
picture of 1,1,2,2-tetrafluoroethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F7 108.278 C1 C2 F8 108.278
C2 C1 F5 108.278 C2 C1 F6 108.278
F5 C1 F6 108.627 F7 C2 F8 108.627
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.065 C2 C1 H3 112.065
H3 C1 F5 109.757 H3 C1 F6 109.757
H4 C2 F7 109.757 H4 C2 F8 109.757

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