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Geometry for CHFCl2 (fluorodichloromethane) 1A' CS

1910171554
InChI=1S/CHCl2F/c2-1(3)4/h1H INChIKey=UMNKXPULIDJLSU-UHFFFAOYSA-N

wB97X-D/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1755 0.5221 0.0000   0.0000 0.3743 -0.4041
H2 -1.0802 1.1210 0.0000   0.0000 0.4670 -1.4851
F3 0.9002 1.3196 0.0000   0.0000 1.5896 0.1584
Cl4 -0.1755 -0.4744 1.4627   1.4627 -0.5006 0.0731
Cl5 -0.1755 -0.4744 -1.4627   -1.4627 -0.5006 0.0731
Atom - Atom Distances (Å)
  C1 H2 F3 Cl4 Cl5
C1 1.0849 1.3391 1.7699 1.7699
H2 1.0849 1.9903 2.3459 2.3459
F3 1.3391 1.9903 2.5525 2.5525
Cl4 1.7699 2.3459 2.5525 2.9254
Cl5 1.7699 2.3459 2.5525 2.9254
Maximum atom distance is 2.9254Å between atoms Cl4 and Cl5.
picture of fluorodichloromethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F3 C1 Cl4 109.592 F3 C1 Cl5 109.592
Cl4 C1 Cl5 111.466
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 109.941 H2 C1 Cl4 108.109
H2 C1 Cl5 108.109

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