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Geometry for CH3CF2Cl (1-Chloro-1,1-Difluoroethane) 1A' CS

1910171554
InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3 INChIKey=BHNZEZWIUMJCGF-UHFFFAOYSA-N

wB97X-D/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.3531 -0.0017 0.0000   -0.3519 -0.0292 0.0000
C2 -0.8118 1.4330 0.0000   -0.9210 1.3654 0.0000
Cl3 1.4347 -0.1301 0.0000   1.4404 -0.0179 0.0000
F4 -0.8118 -0.6496 1.0800   -0.7588 -0.7108 1.0800
F5 -0.8118 -0.6496 -1.0800   -0.7588 -0.7108 -1.0800
H6 -1.9010 1.4396 0.0000   -2.0073 1.2872 0.0000
H7 -0.4428 1.9382 0.8883   -0.5924 1.8979 0.8883
H8 -0.4428 1.9382 -0.8883   -0.5924 1.8979 -0.8883
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 F5 H6 H7 H8
C1 1.5063 1.7923 1.3403 1.3403 2.1150 2.1356 2.1356
C2 1.5063 2.7368 2.3459 2.3459 1.0891 1.0865 1.0865
Cl3 1.7923 2.7368 2.5462 2.5462 3.6865 2.9312 2.9312
F4 1.3403 2.3459 2.5462 2.1599 2.5917 2.6210 3.2722
F5 1.3403 2.3459 2.5462 2.1599 2.5917 3.2722 2.6210
H6 2.1150 1.0891 3.6865 2.5917 2.5917 1.7787 1.7787
H7 2.1356 1.0865 2.9312 2.6210 3.2722 1.7787 1.7766
H8 2.1356 1.0865 2.9312 3.2722 2.6210 1.7787 1.7766
Maximum atom distance is 3.6865Å between atoms Cl3 and H6.
picture of 1-Chloro-1,1-Difluoroethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 Cl3 111.838 C2 C1 F4 110.863
C2 C1 F5 110.863 Cl3 C1 F4 107.867
Cl3 C1 F5 107.867 F4 C1 F5 107.364
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 108.079 C1 C2 H7 109.845
C1 C2 H8 109.845 H6 C2 H7 109.683
H6 C2 H8 109.683 H7 C2 H8 109.683

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