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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

B3LYP/CEP-121G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.3637 0.0251 0.0000   -0.3646 0.0009 0.0000
C2 -0.8492 1.4644 0.0000   -0.9444 1.4049 0.0000
Cl3 1.4986 -0.1274 0.0000   1.5038 -0.0278 0.0000
F4 -0.8492 -0.6773 1.1304   -0.8025 -0.7321 1.1304
F5 -0.8492 -0.6773 -1.1304   -0.8025 -0.7321 -1.1304
H6 -1.9444 1.4637 0.0000   -2.0372 1.3317 0.0000
H7 -0.4842 1.9786 0.8925   -0.6142 1.9421 0.8925
H8 -0.4842 1.9786 -0.8925   -0.6142 1.9421 -0.8925
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 F5 H6 H7 H8
C1 1.5190 1.8686 1.4166 1.4166 2.1374 2.1511 2.1511
C2 1.5190 2.8366 2.4217 2.4217 1.0952 1.0928 1.0928
Cl3 1.8686 2.8366 2.6632 2.6632 3.7929 3.0271 3.0271
F4 1.4166 2.4217 2.6632 2.2608 2.6573 2.6914 3.3584
F5 1.4166 2.4217 2.6632 2.2608 2.6573 3.3584 2.6914
H6 2.1374 1.0952 3.7929 2.6573 2.6573 1.7871 1.7871
H7 2.1511 1.0928 3.0271 2.6914 3.3584 1.7871 1.7850
H8 2.1511 1.0928 3.0271 3.3584 2.6914 1.7871 1.7850
Maximum atom distance is 3.7929Å 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 113.323 C2 C1 F4 111.115
C2 C1 F5 111.115 Cl3 C1 F4 107.525
Cl3 C1 F5 107.525 F4 C1 F5 105.868
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 108.607 C1 C2 H7 109.820
C1 C2 H8 109.820 H6 C2 H7 109.532
H6 C2 H8 109.532 H7 C2 H8 109.514

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