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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

mPW1PW91/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.3541 0.0003 0.0000   -0.3531 -0.0275 0.0000
C2 -0.8125 1.4310 0.0000   -0.9222 1.3629 0.0000
Cl3 1.4366 -0.1301 0.0000   1.4423 -0.0171 0.0000
F4 -0.8125 -0.6498 1.0829   -0.7590 -0.7115 1.0829
F5 -0.8125 -0.6498 -1.0829   -0.7590 -0.7115 -1.0829
H6 -1.9050 1.4381 0.0000   -2.0120 1.2842 0.0000
H7 -0.4462 1.9416 0.8906   -0.5971 1.9006 0.8906
H8 -0.4462 1.9416 -0.8906   -0.5971 1.9006 -0.8906
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 F5 H6 H7 H8
C1 1.5024 1.7954 1.3436 1.3436 2.1149 2.1378 2.1378
C2 1.5024 2.7378 2.3457 2.3457 1.0926 1.0899 1.0899
Cl3 1.7954 2.7378 2.5497 2.5497 3.6913 2.9377 2.9377
F4 1.3436 2.3457 2.5497 2.1657 2.5934 2.6242 3.2778
F5 1.3436 2.3457 2.5497 2.1657 2.5934 3.2778 2.6242
H6 2.1149 1.0926 3.6913 2.5934 2.5934 1.7818 1.7818
H7 2.1378 1.0899 2.9377 2.6242 3.2778 1.7818 1.7811
H8 2.1378 1.0899 2.9377 3.2778 2.6242 1.7818 1.7811
Maximum atom distance is 3.6913Å 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 111.927 C2 C1 F4 110.897
C2 C1 F5 110.897 Cl3 C1 F4 107.763
Cl3 C1 F5 107.763 F4 C1 F5 107.404
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 108.131 C1 C2 H7 110.095
C1 C2 H8 110.095 H6 C2 H7 109.452
H6 C2 H8 109.452 H7 C2 H8 109.593

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