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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

mPW1PW91/6-311G*


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2427 0.7194 0.0000   0.0310 -0.2407 0.7194
C2 0.2427 -0.7194 0.0000   -0.0310 0.2407 -0.7194
H3 -1.3325 0.7847 0.0000   0.1700 -1.3216 0.7847
H4 1.3325 -0.7847 0.0000   -0.1700 1.3216 -0.7847
F5 0.2427 1.3404 1.0960   1.0561 0.3805 1.3404
F6 0.2427 1.3404 -1.0960   -1.1180 0.1008 1.3404
F7 -0.2427 -1.3404 1.0960   1.1180 -0.1008 -1.3404
F8 -0.2427 -1.3404 -1.0960   -1.0561 -0.3805 -1.3404
Atom - Atom Distances (Å)
  C1 C2 H3 H4 F5 F6 F7 F8
C1 1.5185 1.0918 2.1780 1.3500 1.3500 2.3333 2.3333
C2 1.5185 2.1780 1.0918 2.3333 2.3333 1.3500 1.3500
H3 1.0918 2.1780 3.0928 1.9978 1.9978 2.6278 2.6278
H4 2.1780 1.0918 3.0928 2.6278 2.6278 1.9978 1.9978
F5 1.3500 2.3333 1.9978 2.6278 2.1920 2.7245 3.4968
F6 1.3500 2.3333 1.9978 2.6278 2.1920 3.4968 2.7245
F7 2.3333 1.3500 2.6278 1.9978 2.7245 3.4968 2.1920
F8 2.3333 1.3500 2.6278 1.9978 3.4968 2.7245 2.1920
Maximum atom distance is 3.4968Å 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 108.723 C1 C2 F8 108.723
C2 C1 F5 108.723 C2 C1 F6 108.723
F5 C1 F6 108.559 F7 C2 F8 108.559
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.068 C2 C1 H3 112.068
H3 C1 F5 109.350 H3 C1 F6 109.350
H4 C2 F7 109.350 H4 C2 F8 109.350

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