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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

QCISD/6-31G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2474 0.7159 0.0000   0.0318 -0.2454 0.7159
C2 0.2474 -0.7159 0.0000   -0.0318 0.2454 -0.7159
H3 -1.3400 0.7751 0.0000   0.1724 -1.3289 0.7751
H4 1.3400 -0.7751 0.0000   -0.1724 1.3289 -0.7751
F5 0.2474 1.3381 1.1066   1.0656 0.3877 1.3381
F6 0.2474 1.3381 -1.1066   -1.1293 0.1030 1.3381
F7 -0.2474 -1.3381 1.1066   1.1293 -0.1030 -1.3381
F8 -0.2474 -1.3381 -1.1066   -1.0656 -0.3877 -1.3381
Atom - Atom Distances (Å)
  C1 C2 H3 H4 F5 F6 F7 F8
C1 1.5148 1.0942 2.1778 1.3626 1.3626 2.3331 2.3331
C2 1.5148 2.1778 1.0942 2.3331 2.3331 1.3626 1.3626
H3 1.0942 2.1778 3.0961 2.0154 2.0154 2.6238 2.6238
H4 2.1778 1.0942 3.0961 2.6238 2.6238 2.0154 2.0154
F5 1.3626 2.3331 2.0154 2.6238 2.2132 2.7217 3.5080
F6 1.3626 2.3331 2.0154 2.6238 2.2132 3.5080 2.7217
F7 2.3331 1.3626 2.6238 2.0154 2.7217 3.5080 2.2132
F8 2.3331 1.3626 2.6238 2.0154 3.5080 2.7217 2.2132
Maximum atom distance is 3.5080Å 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 108.241 C1 C2 F8 108.241
C2 C1 F5 108.241 C2 C1 F6 108.241
F5 C1 F6 108.610 F7 C2 F8 108.610
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.168 C2 C1 H3 112.168
H3 C1 F5 109.749 H3 C1 F6 109.749
H4 C2 F7 109.749 H4 C2 F8 109.749

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