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Geometry for CHF2Cl (difluorochloromethane) 1A' CS

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

B2PLYP/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5709 -0.0891 0.0000   0.3745 -0.4309 -0.0891
H2 -1.4481 0.5538 0.0000   0.9500 -1.0929 0.5538
Cl3 0.8911 0.9247 0.0000   -0.5846 0.6726 0.9247
F4 -0.5709 -0.8743 1.0908   1.1978 0.2848 -0.8743
F5 -0.5709 -0.8743 -1.0908   -0.4487 -1.1465 -0.8743
Atom - Atom Distances (Å)
  C1 H2 Cl3 F4 F5
C1 1.0876 1.7791 1.3441 1.3441
H2 1.0876 2.3685 1.9997 1.9997
Cl3 1.7791 2.3685 2.5620 2.5620
F4 1.3441 1.9997 2.5620 2.1817
F5 1.3441 1.9997 2.5620 2.1817
Maximum atom distance is 2.5620Å 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 109.445 F3 C1 Cl5 109.445
F4 C1 Cl5 108.504
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 F3 109.026 H2 C1 F4 110.203
H2 C1 Cl5 110.203

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