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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

LSDA/6-31+G**


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2254 0.7232 0.3987   0.4404 -0.1259 0.7232
C2 0.2254 -0.7232 0.3987   0.3349 0.3125 -0.7232
H3 -1.3272 0.7991 0.3616   0.6621 -1.2057 0.7991
H4 1.3272 -0.7991 0.3616   0.0410 1.3750 -0.7991
F5 0.2254 1.2864 1.5496   1.4538 0.5818 1.2864
F6 -0.2254 -1.2864 1.5496   1.5593 0.1434 -1.2864
Cl7 0.4533 1.5840 -0.9824   -1.0612 0.2109 1.5840
Cl8 -0.4533 -1.5840 -0.9824   -0.8490 -0.6706 -1.5840
Atom - Atom Distances (Å)
  C1 C2 H3 H4 F5 F6 Cl7 Cl8
C1 1.5151 1.1050 2.1747 1.3583 2.3158 1.7633 2.6987
C2 1.5151 2.1747 1.1050 2.3158 1.3583 2.6987 1.7633
H3 1.1050 2.1747 3.0984 2.0148 2.6409 2.3649 2.8721
H4 2.1747 1.1050 3.0984 2.6409 2.0148 2.8721 2.3649
F5 1.3583 2.3158 2.0148 2.6409 2.6120 2.5596 3.8872
F6 2.3158 1.3583 2.6409 2.0148 2.6120 3.8872 2.5596
Cl7 1.7633 2.6987 2.3649 2.8721 2.5596 3.8872 3.2952
Cl8 2.6987 1.7633 2.8721 2.3649 3.8872 2.5596 3.2952
Maximum atom distance is 3.8872Å 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 107.281 C1 C2 Cl8 110.580
C2 C1 F5 107.281 C2 C1 Cl7 110.580
F5 C1 Cl7 109.480 F6 C2 Cl8 109.480
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 111.238 C2 C1 H3 111.238
H3 C1 F5 109.327 H3 C1 Cl7 108.905
H4 C2 F6 109.327 H4 C2 Cl8 108.905

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