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Geometry for CHF2Cl (difluorochloromethane) 1A' CS

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

B3LYP/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6321 -0.1109 0.0000   0.4169 -0.4751 -0.1109
H2 -1.4351 0.6183 0.0000   0.9465 -1.0787 0.6183
Cl3 0.9768 0.9414 0.0000   -0.6443 0.7342 0.9414
F4 -0.6321 -0.8865 1.1172   1.2567 0.2617 -0.8865
F5 -0.6321 -0.8865 -1.1172   -0.4228 -1.2120 -0.8865
Atom - Atom Distances (Å)
  C1 H2 Cl3 F4 F5
C1 1.0846 1.9225 1.3601 1.3601
H2 1.0846 2.4335 2.0390 2.0390
Cl3 1.9225 2.4335 2.6792 2.6792
F4 1.3601 2.0390 2.6792 2.2344
F5 1.3601 2.0390 2.6792 2.2344
Maximum atom distance is 2.6792Å 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 108.190 F3 C1 Cl5 108.190
F4 C1 Cl5 110.458
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 104.570 H2 C1 F4 112.545
H2 C1 Cl5 112.545

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