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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

B2PLYP/3-21G


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2315 0.7223 0.4480   0.4881 -0.1269 0.7223
C2 0.2315 -0.7223 0.4480   0.3858 0.3247 -0.7223
H3 -1.3063 0.8195 0.3443   0.6241 -1.1981 0.8195
H4 1.3063 -0.8195 0.3443   0.0474 1.3501 -0.8195
F5 0.2315 1.3235 1.6128   1.5219 0.5818 1.3235
F6 -0.2315 -1.3235 1.6128   1.6241 0.1302 -1.3235
Cl7 0.5380 1.6097 -1.0322   -1.1255 0.2969 1.6097
Cl8 -0.5380 -1.6097 -1.0322   -0.8880 -0.7526 -1.6097
Atom - Atom Distances (Å)
  C1 C2 H3 H4 F5 F6 Cl7 Cl8
C1 1.5170 1.0842 2.1801 1.3902 2.3542 1.8896 2.7791
C2 1.5170 2.1801 1.0842 2.3542 1.3902 2.7791 1.8896
H3 1.0842 2.1801 3.0842 2.0562 2.7123 2.4333 2.8959
H4 2.1801 1.0842 3.0842 2.7123 2.0562 2.8959 2.4333
F5 1.3902 2.3542 2.0562 2.7123 2.6871 2.6781 4.0239
F6 2.3542 1.3902 2.7123 2.0562 2.6871 4.0239 2.6781
Cl7 1.8896 2.7791 2.4333 2.8959 2.6781 4.0239 3.3945
Cl8 2.7791 1.8896 2.8959 2.4333 4.0239 2.6781 3.3945
Maximum atom distance is 4.0239Å 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 108.066 C1 C2 Cl8 108.838
C2 C1 F5 108.066 C2 C1 Cl7 108.838
F5 C1 Cl7 108.520 F6 C2 Cl8 108.520
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.827 C2 C1 H3 112.827
H3 C1 F5 111.815 H3 C1 Cl7 106.661
H4 C2 F6 111.815 H4 C2 Cl8 106.661

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