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Geometry for CHFClCHFCl (1,2-dichloro-1,2-difluoroethane RR) 1A C2

1910171554
InChI=1S/C2H2Cl2F2/c3-1(5)2(4)6/h1-2H/t1-,2-/m1/s1 INChIKey=IDSKMUOSMAUASS-JCYAYHJZSA-N

B97D3/6-311+G(3df,2p)


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2213 0.7367 0.4024   0.4426 -0.1225 0.7367
C2 0.2213 -0.7367 0.4024   0.3405 0.3081 -0.7367
H3 -1.3083 0.8301 0.3491   0.6415 -1.1925 0.8301
H4 1.3083 -0.8301 0.3491   0.0378 1.3536 -0.8301
F5 0.2213 1.3159 1.5616   1.4684 0.5756 1.3159
F6 -0.2213 -1.3159 1.5616   1.5705 0.1450 -1.3159
Cl7 0.4840 1.6005 -0.9893   -1.0743 0.2427 1.6005
Cl8 -0.4840 -1.6005 -0.9893   -0.8509 -0.6991 -1.6005
Atom - Atom Distances (Å)
  C1 C2 H3 H4 F5 F6 Cl7 Cl8
C1 1.5384 1.0924 2.1903 1.3694 2.3573 1.7833 2.7328
C2 1.5384 2.1903 1.0924 2.3573 1.3694 2.7328 1.7833
H3 1.0924 2.1903 3.0990 2.0114 2.6940 2.3658 2.8946
H4 2.1903 1.0924 3.0990 2.6940 2.0114 2.8946 2.3658
F5 1.3694 2.3573 2.0114 2.6940 2.6688 2.5801 3.9382
F6 2.3573 1.3694 2.6940 2.0114 2.6688 3.9382 2.5801
Cl7 1.7833 2.7328 2.3658 2.8946 2.5801 3.9382 3.3441
Cl8 2.7328 1.7833 2.8946 2.3658 3.9382 2.5801 3.3441
Maximum atom distance is 3.9382Å between atoms F5 and Cl8.
picture of 1,2-dichloro-1,2-difluoroethane RR
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F6 108.189 C1 C2 Cl8 110.496
C2 C1 F5 108.189 C2 C1 Cl7 110.496
F5 C1 Cl7 109.145 F6 C2 Cl8 109.145
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 111.605 C2 C1 H3 111.605
H3 C1 F5 109.067 H3 C1 Cl7 108.303
H4 C2 F6 109.067 H4 C2 Cl8 108.303

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