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Geometry for CH3CF2Cl (1-Chloro-1,1-Difluoroethane) 1A' CS

1910171554
InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3 INChIKey=BHNZEZWIUMJCGF-UHFFFAOYSA-N

HF/Def2TZVPP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.3451 0.0037 0.0000   -0.3440 -0.0281 0.0000
C2 -0.8055 1.4337 0.0000   -0.9342 1.3534 0.0000
Cl3 1.4217 -0.1422 0.0000   1.4288 -0.0106 0.0000
F4 -0.8055 -0.6397 1.0600   -0.7432 -0.7112 1.0600
F5 -0.8055 -0.6397 -1.0600   -0.7432 -0.7112 -1.0600
H6 -1.8874 1.4382 0.0000   -2.0119 1.2582 0.0000
H7 -0.4394 1.9347 0.8827   -0.6158 1.8860 0.8827
H8 -0.4394 1.9347 -0.8827   -0.6158 1.8860 -0.8827
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 F5 H6 H7 H8
C1 1.5023 1.7729 1.3227 1.3227 2.1063 2.1252 2.1252
C2 1.5023 2.7284 2.3287 2.3287 1.0819 1.0790 1.0790
Cl3 1.7729 2.7284 2.5163 2.5163 3.6672 2.9251 2.9251
F4 1.3227 2.3287 2.5163 2.1200 2.5714 2.6064 3.2459
F5 1.3227 2.3287 2.5163 2.1200 2.5714 3.2459 2.6064
H6 2.1063 1.0819 3.6672 2.5714 2.5714 1.7670 1.7670
H7 2.1252 1.0790 2.9251 2.6064 3.2459 1.7670 1.7654
H8 2.1252 1.0790 2.9251 3.2459 2.6064 1.7670 1.7654
Maximum atom distance is 3.6672Å between atoms Cl3 and H6.
picture of 1-Chloro-1,1-Difluoroethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 Cl3 112.567 C2 C1 F4 110.879
C2 C1 F5 110.879 Cl3 C1 F4 107.870
Cl3 C1 F5 107.870 F4 C1 F5 106.521
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 108.083 C1 C2 H7 109.752
C1 C2 H8 109.752 H6 C2 H7 109.720
H6 C2 H8 109.720 H7 C2 H8 109.790

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