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Geometry for CHFCl2 (fluorodichloromethane) 1A' CS

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

B3PW91/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1791 0.5161 0.0000   -0.2471 0.4531 -0.1791
H2 -1.0737 1.1375 0.0000   -0.5447 0.9986 -1.0737
F3 0.9152 1.3118 0.0000   -0.6282 1.1517 0.9152
Cl4 -0.1791 -0.4718 1.4712   1.5175 0.2903 -0.1791
Cl5 -0.1791 -0.4718 -1.4712   -1.0656 -1.1186 -0.1791
Atom - Atom Distances (Å)
  C1 H2 F3 Cl4 Cl5
C1 1.0893 1.3530 1.7721 1.7721
H2 1.0893 1.9965 2.3568 2.3568
F3 1.3530 1.9965 2.5579 2.5579
Cl4 1.7721 2.3568 2.5579 2.9424
Cl5 1.7721 2.3568 2.5579 2.9424
Maximum atom distance is 2.9424Å 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 109.139 F3 C1 Cl5 109.139
Cl4 C1 Cl5 112.240
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 109.192 H2 C1 Cl4 108.543
H2 C1 Cl5 108.543

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