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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

MP2=FULL/6-31G


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2486 0.7182 0.4189   0.4597 -0.1613 0.7182
C2 0.2486 -0.7182 0.4189   0.3618 0.3262 -0.7182
H3 -1.3344 0.7991 0.4018   0.6565 -1.2293 0.7991
H4 1.3344 -0.7991 0.4018   0.1312 1.3874 -0.7991
F5 0.2486 1.3252 1.6136   1.5331 0.5613 1.3252
F6 -0.2486 -1.3252 1.6136   1.6310 0.0739 -1.3252
Cl7 0.4280 1.6753 -1.0257   -1.0899 0.2178 1.6753
Cl8 -0.4280 -1.6753 -1.0257   -0.9214 -0.6216 -1.6753
Atom - Atom Distances (Å)
  C1 C2 H3 H4 F5 F6 Cl7 Cl8
C1 1.5200 1.0890 2.1928 1.4293 2.3670 1.8603 2.8014
C2 1.5200 2.1928 1.0890 2.3670 1.4293 2.8014 1.8603
H3 1.0890 2.1928 3.1108 2.0619 2.6759 2.4314 2.9970
H4 2.1928 1.0890 3.1108 2.6759 2.0619 2.9970 2.4314
F5 1.4293 2.3670 2.0619 2.6759 2.6966 2.6685 4.0530
F6 2.3670 1.4293 2.6759 2.0619 2.6966 4.0530 2.6685
Cl7 1.8603 2.8014 2.4314 2.9970 2.6685 4.0530 3.4582
Cl8 2.8014 1.8603 2.9970 2.4314 4.0530 2.6685 3.4582
Maximum atom distance is 4.0530Å 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 106.710 C1 C2 Cl8 111.542
C2 C1 F5 106.710 C2 C1 Cl7 111.542
F5 C1 Cl7 107.704 F6 C2 Cl8 107.704
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 113.349 C2 C1 H3 113.349
H3 C1 F5 109.178 H3 C1 Cl7 108.192
H4 C2 F6 109.178 H4 C2 Cl8 108.192

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