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Geometry for CHF2Cl (difluorochloromethane) 1A' CS

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

MP2/LANL2DZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5897 -0.0758 0.0000   0.3851 -0.4465 -0.0758
H2 -1.4924 0.5389 0.0000   0.9747 -1.1301 0.5389
Cl3 0.9203 0.9683 0.0000   -0.6011 0.6969 0.9683
F4 -0.5897 -0.9192 1.1455   1.2526 0.3016 -0.9192
F5 -0.5897 -0.9192 -1.1455   -0.4823 -1.1947 -0.9192
Atom - Atom Distances (Å)
  C1 H2 Cl3 F4 F5
C1 1.0921 1.8358 1.4224 1.4224
H2 1.0921 2.4506 2.0623 2.0623
Cl3 1.8358 2.4506 2.6748 2.6748
F4 1.4224 2.0623 2.6748 2.2909
F5 1.4224 2.0623 2.6748 2.2909
Maximum atom distance is 2.6748Å 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 109.706 F3 C1 Cl5 109.706
F4 C1 Cl5 107.276
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 111.086 H2 C1 F4 109.493
H2 C1 Cl5 109.493

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