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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

MP3/6-31G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2306 0.7257 0.3896   0.4240 -0.1586 0.7257
C2 0.2306 -0.7257 0.3896   0.3430 0.2955 -0.7257
H3 -1.3184 0.7933 0.3644   0.5903 -1.2339 0.7933
H4 1.3184 -0.7933 0.3644   0.1272 1.3619 -0.7933
F5 0.2306 1.2782 1.5519   1.4873 0.4996 1.2782
F6 -0.2306 -1.2782 1.5519   1.5683 0.0455 -1.2782
Cl7 0.4352 1.6208 -0.9805   -1.0417 0.2562 1.6208
Cl8 -0.4352 -1.6208 -0.9805   -0.8889 -0.6006 -1.6208
Atom - Atom Distances (Å)
  C1 C2 H3 H4 F5 F6 Cl7 Cl8
C1 1.5229 1.0901 2.1696 1.3671 2.3166 1.7668 2.7249
C2 1.5229 2.1696 1.0901 2.3166 1.3671 2.7249 1.7668
H3 1.0901 2.1696 3.0772 2.0111 2.6237 2.3598 2.9011
H4 2.1696 1.0901 3.0772 2.6237 2.0111 2.9011 2.3598
F5 1.3671 2.3166 2.0111 2.6237 2.5976 2.5637 3.9065
F6 2.3166 1.3671 2.6237 2.0111 2.5976 3.9065 2.5637
Cl7 1.7668 2.7249 2.3598 2.9011 2.5637 3.9065 3.3564
Cl8 2.7249 1.7668 2.9011 2.3598 3.9065 2.5637 3.3564
Maximum atom distance is 3.9065Å 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 106.435 C1 C2 Cl8 111.634
C2 C1 F5 106.435 C2 C1 Cl7 111.634
F5 C1 Cl7 109.112 F6 C2 Cl8 109.112
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 111.179 C2 C1 H3 111.179
H3 C1 F5 109.345 H3 C1 Cl7 109.071
H4 C2 F6 109.345 H4 C2 Cl8 109.071

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