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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

HF/LANL2DZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.3562 0.0186 0.0000   -0.3566 -0.0076 0.0000
C2 -0.8287 1.4476 0.0000   -0.9327 1.3829 0.0000
Cl3 1.4627 -0.1296 0.0000   1.4682 -0.0219 0.0000
F4 -0.8287 -0.6641 1.1029   -0.7777 -0.7231 1.1029
F5 -0.8287 -0.6641 -1.1029   -0.7777 -0.7231 -1.1029
H6 -1.9094 1.4563 0.0000   -2.0112 1.3122 0.0000
H7 -0.4649 1.9519 0.8815   -0.6070 1.9125 0.8815
H8 -0.4649 1.9519 -0.8815   -0.6070 1.9125 -0.8815
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 F5 H6 H7 H8
C1 1.5051 1.8249 1.3804 1.3804 2.1165 2.1275 2.1275
C2 1.5051 2.7817 2.3823 2.3823 1.0808 1.0787 1.0787
Cl3 1.8249 2.7817 2.5985 2.5985 3.7264 2.9707 2.9707
F4 1.3804 2.3823 2.5985 2.2057 2.6231 2.6504 3.3035
F5 1.3804 2.3823 2.5985 2.2057 2.6231 3.3035 2.6504
H6 2.1165 1.0808 3.7264 2.6231 2.6231 1.7633 1.7633
H7 2.1275 1.0787 2.9707 2.6504 3.3035 1.7633 1.7629
H8 2.1275 1.0787 2.9707 3.3035 2.6504 1.7633 1.7629
Maximum atom distance is 3.7264Å 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 112.955 C2 C1 F4 111.228
C2 C1 F5 111.228 Cl3 C1 F4 107.517
Cl3 C1 F5 107.517 F4 C1 F5 106.055
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 108.759 C1 C2 H7 109.754
C1 C2 H8 109.754 H6 C2 H7 109.478
H6 C2 H8 109.478 H7 C2 H8 109.602

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