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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

BLYP/6-31G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2567 0.7187 0.0000   0.0342 -0.2545 0.7187
C2 0.2567 -0.7187 0.0000   -0.0342 0.2545 -0.7187
H3 -1.3521 0.7887 0.0000   0.1802 -1.3401 0.7887
H4 1.3521 -0.7887 0.0000   -0.1802 1.3401 -0.7887
F5 0.2567 1.3727 1.1524   1.1079 0.4081 1.3727
F6 0.2567 1.3727 -1.1524   -1.1763 0.1009 1.3727
F7 -0.2567 -1.3727 1.1524   1.1763 -0.1009 -1.3727
F8 -0.2567 -1.3727 -1.1524   -1.1079 -0.4081 -1.3727
Atom - Atom Distances (Å)
  C1 C2 H3 H4 F5 F6 F7 F8
C1 1.5264 1.0976 2.2047 1.4210 1.4210 2.3879 2.3879
C2 1.5264 2.2047 1.0976 2.3879 2.3879 1.4210 1.4210
H3 1.0976 2.2047 3.1307 2.0634 2.0634 2.6832 2.6832
H4 2.2047 1.0976 3.1307 2.6832 2.6832 2.0634 2.0634
F5 1.4210 2.3879 2.0634 2.6832 2.3048 2.7930 3.6212
F6 1.4210 2.3879 2.0634 2.6832 2.3048 3.6212 2.7930
F7 2.3879 1.4210 2.6832 2.0634 2.7930 3.6212 2.3048
F8 2.3879 1.4210 2.6832 2.0634 3.6212 2.7930 2.3048
Maximum atom distance is 3.6212Å 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 108.169 C1 C2 F8 108.169
C2 C1 F5 108.169 C2 C1 F6 108.169
F5 C1 F6 108.379 F7 C2 F8 108.379
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 113.313 C2 C1 H3 113.313
H3 C1 F5 109.346 H3 C1 F6 109.346
H4 C2 F7 109.346 H4 C2 F8 109.346

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