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Geometry for CHFCl2 (fluorodichloromethane) 1A' CS

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

MP2=FULL/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1758 0.5210 0.0000   -0.2498 0.4572 -0.1758
H2 -1.0764 1.1132 0.0000   -0.5337 0.9769 -1.0764
F3 0.9011 1.3181 0.0000   -0.6319 1.1568 0.9011
Cl4 -0.1758 -0.4736 1.4500   1.4995 0.2795 -0.1758
Cl5 -0.1758 -0.4736 -1.4500   -1.0454 -1.1107 -0.1758
Atom - Atom Distances (Å)
  C1 H2 F3 Cl4 Cl5
C1 1.0778 1.3398 1.7583 1.7583
H2 1.0778 1.9880 2.3305 2.3305
F3 1.3398 1.9880 2.5441 2.5441
Cl4 1.7583 2.3305 2.5441 2.8999
Cl5 1.7583 2.3305 2.5441 2.8999
Maximum atom distance is 2.8999Å 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 109.666 F3 C1 Cl5 109.666
Cl4 C1 Cl5 111.105
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 110.161 H2 C1 Cl4 108.107
H2 C1 Cl5 108.107

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