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Geometry for CHF2Cl (difluorochloromethane) 1A' CS

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

B3LYP/CEP-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5942 -0.0856 0.0000   0.3955 -0.4435 -0.0856
H2 -1.4909 0.5469 0.0000   0.9923 -1.1127 0.5469
Cl3 0.9266 0.9673 0.0000   -0.6167 0.6916 0.9673
F4 -0.5942 -0.9154 1.1339   1.2418 0.3111 -0.9154
F5 -0.5942 -0.9154 -1.1339   -0.4508 -1.1981 -0.9154
Atom - Atom Distances (Å)
  C1 H2 Cl3 F4 F5
C1 1.0973 1.8497 1.4051 1.4051
H2 1.0973 2.4538 2.0562 2.0562
Cl3 1.8497 2.4538 2.6727 2.6727
F4 1.4051 2.0562 2.6727 2.2677
F5 1.4051 2.0562 2.6727 2.2677
Maximum atom distance is 2.6727Å 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 109.643 F3 C1 Cl5 109.643
F4 C1 Cl5 107.602
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.109 H2 C1 F4 109.902
H2 C1 Cl5 109.902

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