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Geometry for CFClCClF (trans-1,2-dichloro-1,2-difluoroethylene) 1AG C2H

1910171554
InChI=1S/C2Cl2F2/c3-1(5)2(4)6/b2-1+ INChIKey=UPVJEODAZWTJKZ-OWOJBTEDSA-N

QCISD/6-31G(2df,p)


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0697 0.6610 0.0000   0.6093 0.2655 0.0000
C2 0.0697 -0.6610 0.0000   -0.6093 -0.2655 0.0000
F3 -1.2562 1.2324 0.0000   1.6918 -0.4846 0.0000
F4 1.2562 -1.2324 0.0000   -1.6918 0.4846 0.0000
Cl5 1.2562 1.7402 0.0000   0.8937 1.9513 0.0000
Cl6 -1.2562 -1.7402 0.0000   -0.8937 -1.9513 0.0000
Atom - Atom Distances (Å)
  C1 C2 F3 F4 Cl5 Cl6
C1 1.3293 1.3170 2.3115 1.7096 2.6783
C2 1.3293 2.3115 1.3170 2.6783 1.7096
F3 1.3170 2.3115 3.5196 2.5633 2.9726
F4 2.3115 1.3170 3.5196 2.9726 2.5633
Cl5 1.7096 2.6783 2.5633 2.9726 4.2925
Cl6 2.6783 1.7096 2.9726 2.5633 4.2925
Maximum atom distance is 4.2925Å between atoms Cl5 and Cl6.
picture of trans-1,2-dichloro-1,2-difluoroethylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F4 121.735 C1 C2 Cl6 123.123
C2 C1 F3 121.735 C2 C1 Cl5 123.123
F3 C1 Cl5 115.142 F4 C2 Cl6 115.142

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