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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

PBEPBE/6-311G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2231 0.7342 0.4037   0.4449 -0.1219 0.7342
C2 0.2231 -0.7342 0.4037   0.3399 0.3118 -0.7342
H3 -1.3169 0.8258 0.3512   0.6512 -1.1973 0.8258
H4 1.3169 -0.8258 0.3512   0.0314 1.3626 -0.8258
F5 0.2231 1.3035 1.5682   1.4716 0.5859 1.3035
F6 -0.2231 -1.3035 1.5682   1.5766 0.1522 -1.3035
Cl7 0.4793 1.6153 -0.9933   -1.0782 0.2321 1.6153
Cl8 -0.4793 -1.6153 -0.9933   -0.8527 -0.6996 -1.6153
Atom - Atom Distances (Å)
  C1 C2 H3 H4 F5 F6 Cl7 Cl8
C1 1.5348 1.0989 2.1927 1.3708 2.3470 1.7948 2.7455
C2 1.5348 2.1927 1.0989 2.3470 1.3708 2.7455 1.7948
H3 1.0989 2.1927 3.1088 2.0201 2.6854 2.3786 2.9101
H4 2.1927 1.0989 3.1088 2.6854 2.0201 2.9101 2.3786
F5 1.3708 2.3470 2.0201 2.6854 2.6449 2.5931 3.9464
F6 2.3470 1.3708 2.6854 2.0201 2.6449 3.9464 2.5931
Cl7 1.7948 2.7455 2.3786 2.9101 2.5931 3.9464 3.3699
Cl8 2.7455 1.7948 2.9101 2.3786 3.9464 2.5931 3.3699
Maximum atom distance is 3.9464Å 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 107.619 C1 C2 Cl8 110.850
C2 C1 F5 107.619 C2 C1 Cl7 110.850
F5 C1 Cl7 109.265 F6 C2 Cl8 109.265
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 111.660 C2 C1 H3 111.660
H3 C1 F5 109.269 H3 C1 Cl7 108.148
H4 C2 F6 109.269 H4 C2 Cl8 108.148

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