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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

CCD/aug-cc-pVDZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2260 0.7321 0.3960   0.4342 -0.1393 0.7321
C2 0.2260 -0.7321 0.3960   0.3408 0.3030 -0.7321
H3 -1.3201 0.8202 0.3512   0.6163 -1.2191 0.8202
H4 1.3201 -0.8202 0.3512   0.0708 1.3642 -0.8202
F5 0.2260 1.3085 1.5591   1.4787 0.5433 1.3085
F6 -0.2260 -1.3085 1.5591   1.5721 0.1010 -1.3085
Cl7 0.4778 1.6063 -0.9858   -1.0633 0.2638 1.6063
Cl8 -0.4778 -1.6063 -0.9858   -0.8658 -0.6711 -1.6063
Atom - Atom Distances (Å)
  C1 C2 H3 H4 F5 F6 Cl7 Cl8
C1 1.5325 1.0986 2.1914 1.3745 2.3488 1.7802 2.7279
C2 1.5325 2.1914 1.0986 2.3488 1.3745 2.7279 1.7802
H3 1.0986 2.1914 3.1084 2.0219 2.6810 2.3744 2.8957
H4 2.1914 1.0986 3.1084 2.6810 2.0219 2.8957 2.3744
F5 1.3745 2.3488 2.0219 2.6810 2.6558 2.5746 3.9330
F6 2.3488 1.3745 2.6810 2.0219 2.6558 3.9330 2.5746
Cl7 1.7802 2.7279 2.3744 2.8957 2.5746 3.9330 3.3518
Cl8 2.7279 1.7802 2.8957 2.3744 3.9330 2.5746 3.3518
Maximum atom distance is 3.9330Å 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 107.679 C1 C2 Cl8 110.648
C2 C1 F5 107.679 C2 C1 Cl7 110.648
F5 C1 Cl7 108.717 F6 C2 Cl8 108.717
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 111.740 C2 C1 H3 111.740
H3 C1 F5 109.175 H3 C1 Cl7 108.824
H4 C2 F6 109.175 H4 C2 Cl8 108.824

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