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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

CID/3-21G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2505 0.7117 0.0000   0.6717 0.0000 -0.3435
C2 0.2505 -0.7117 0.0000   -0.6717 0.0000 0.3435
H3 -1.3315 0.7474 0.0000   0.5626 0.0000 -1.4195
H4 1.3315 -0.7474 0.0000   -0.5626 0.0000 1.4195
F5 0.2505 1.3390 1.1245   1.3605 1.1245 0.0691
F6 0.2505 1.3390 -1.1245   1.3605 -1.1245 0.0691
F7 -0.2505 -1.3390 1.1245   -1.3605 1.1245 -0.0691
F8 -0.2505 -1.3390 -1.1245   -1.3605 -1.1245 -0.0691
Atom - Atom Distances (Å)
  C1 C2 H3 H4 F5 F6 F7 F8
C1 1.5089 1.0815 2.1521 1.3817 1.3817 2.3387 2.3387
C2 1.5089 2.1521 1.0815 2.3387 2.3387 1.3817 1.3817
H3 1.0815 2.1521 3.0538 2.0291 2.0291 2.6050 2.6050
H4 2.1521 1.0815 3.0538 2.6050 2.6050 2.0291 2.0291
F5 1.3817 2.3387 2.0291 2.6050 2.2489 2.7244 3.5327
F6 1.3817 2.3387 2.0291 2.6050 2.2489 3.5327 2.7244
F7 2.3387 1.3817 2.6050 2.0291 2.7244 3.5327 2.2489
F8 2.3387 1.3817 2.6050 2.0291 3.5327 2.7244 2.2489
Maximum atom distance is 3.5327Å 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 107.930 C1 C2 F8 107.930
C2 C1 F5 107.930 C2 C1 F6 107.930
F5 C1 F6 108.946 F7 C2 F8 108.946
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 111.289 C2 C1 H3 111.289
H3 C1 F5 110.330 H3 C1 F6 110.330
H4 C2 F7 110.330 H4 C2 F8 110.330

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