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Geometry for CHFCl2 (fluorodichloromethane) 1A' CS

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

MP2/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1767 0.5257 0.0000   -0.2515 0.4617 -0.1767
H2 -1.0845 1.1252 0.0000   -0.5382 0.9881 -1.0845
F3 0.9058 1.3104 0.0000   -0.6268 1.1507 0.9058
Cl4 -0.1767 -0.4727 1.4536   1.5026 0.2802 -0.1767
Cl5 -0.1767 -0.4727 -1.4536   -1.0504 -1.1105 -0.1767
Atom - Atom Distances (Å)
  C1 H2 F3 Cl4 Cl5
C1 1.0878 1.3369 1.7635 1.7635
H2 1.0878 1.9988 2.3431 2.3431
F3 1.3369 1.9988 2.5425 2.5425
Cl4 1.7635 2.3431 2.5425 2.9072
Cl5 1.7635 2.3431 2.5425 2.9072
Maximum atom distance is 2.9072Å 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 109.408 F3 C1 Cl5 109.408
Cl4 C1 Cl5 111.031
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.625 H2 C1 Cl4 108.179
H2 C1 Cl5 108.179

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