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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

MP2=FULL/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.3944 -0.0283 0.0000   0.3910 0.0584 0.0000
C2 -0.8429 1.4855 0.0000   0.9541 -1.4166 0.0000
Cl3 1.4966 -0.0961 0.0000   -1.4995 -0.0188 0.0000
F4 -0.8429 -0.7008 1.1200   0.7867 0.7633 1.1200
F5 -0.8429 -0.7008 -1.1200   0.7867 0.7633 -1.1200
H6 -1.9458 1.5338 0.0000   2.0576 -1.3803 0.0000
H7 -0.4505 1.9852 0.9007   0.6011 -1.9449 0.9007
H8 -0.4505 1.9852 -0.9007   0.6011 -1.9449 -0.9007
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 F5 H6 H7 H8
C1 1.5788 1.8921 1.3812 1.3812 2.2016 2.2065 2.2065
C2 1.5788 2.8239 2.4564 2.4564 1.1040 1.1023 1.1023
Cl3 1.8921 2.8239 2.6633 2.6633 3.8088 2.9890 2.9890
F4 1.3812 2.4564 2.6633 2.2399 2.7321 2.7234 3.3840
F5 1.3812 2.4564 2.6633 2.2399 2.7321 3.3840 2.7234
H6 2.2016 1.1040 3.8088 2.7321 2.7321 1.8031 1.8031
H7 2.2065 1.1023 2.9890 2.7234 3.3840 1.8031 1.8013
H8 2.2065 1.1023 2.9890 3.3840 2.7234 1.8031 1.8013
Maximum atom distance is 3.8088Å 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 108.558 C2 C1 F4 111.999
C2 C1 F5 111.999 Cl3 C1 F4 107.883
Cl3 C1 F5 107.883 F4 C1 F5 108.358
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 109.014 C1 C2 H7 109.486
C1 C2 H8 109.486 H6 C2 H7 109.623
H6 C2 H8 109.623 H7 C2 H8 109.595

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