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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

MP2/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.3517 -0.0029 0.0000   -0.3504 -0.0296 0.0000
C2 -0.8081 1.4296 0.0000   -0.9142 1.3641 0.0000
Cl3 1.4280 -0.1272 0.0000   1.4336 -0.0184 0.0000
F4 -0.8081 -0.6499 1.0785   -0.7564 -0.7094 1.0785
F5 -0.8081 -0.6499 -1.0785   -0.7564 -0.7094 -1.0785
H6 -1.8985 1.4352 0.0000   -2.0020 1.2870 0.0000
H7 -0.4369 1.9327 0.8900   -0.5823 1.8940 0.8900
H8 -0.4369 1.9327 -0.8900   -0.5823 1.8940 -0.8900
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 F5 H6 H7 H8
C1 1.5034 1.7840 1.3379 1.3379 2.1121 2.1321 2.1321
C2 1.5034 2.7246 2.3425 2.3425 1.0904 1.0877 1.0877
Cl3 1.7840 2.7246 2.5370 2.5370 3.6752 2.9177 2.9177
F4 1.3379 2.3425 2.5370 2.1569 2.5885 2.6160 3.2684
F5 1.3379 2.3425 2.5370 2.1569 2.5885 3.2684 2.6160
H6 2.1121 1.0904 3.6752 2.5885 2.5885 1.7821 1.7821
H7 2.1321 1.0877 2.9177 2.6160 3.2684 1.7821 1.7800
H8 2.1321 1.0877 2.9177 3.2684 2.6160 1.7821 1.7800
Maximum atom distance is 3.6752Å 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 111.668 C2 C1 F4 110.931
C2 C1 F5 110.931 Cl3 C1 F4 107.855
Cl3 C1 F5 107.855 F4 C1 F5 107.426
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 107.972 C1 C2 H7 109.705
C1 C2 H8 109.705 H6 C2 H7 109.805
H6 C2 H8 109.805 H7 C2 H8 109.823

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