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Geometry for CHF2Cl (difluorochloromethane) 1A' CS

1910171554
InChI=1S/CHClF2/c2-1(3)4/h1H INChIKey=VOPWNXZWBYDODV-UHFFFAOYSA-N

mPW1PW91/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5710 -0.0959 0.0000   0.3793 -0.4268 -0.0959
H2 -1.4406 0.5630 0.0000   0.9570 -1.0768 0.5630
Cl3 0.8908 0.9183 0.0000   -0.5917 0.6659 0.9183
F4 -0.5710 -0.8665 1.0781   1.1852 0.2894 -0.8665
F5 -0.5710 -0.8665 -1.0781   -0.4266 -1.1430 -0.8665
Atom - Atom Distances (Å)
  C1 H2 Cl3 F4 F5
C1 1.0911 1.7791 1.3252 1.3252
H2 1.0911 2.3583 1.9906 1.9906
Cl3 1.7791 2.3583 2.5465 2.5465
F4 1.3252 1.9906 2.5465 2.1563
F5 1.3252 1.9906 2.5465 2.1563
Maximum atom distance is 2.5465Å between atoms Cl3 and F4.
picture of difluorochloromethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F3 C1 F4 109.359 F3 C1 Cl5 109.359
F4 C1 Cl5 108.889
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 108.093 H2 C1 F4 110.560
H2 C1 Cl5 110.560

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