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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

mPW1PW91/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.3529 0.0015 0.0000   -0.3520 -0.0250 0.0000
C2 -0.8118 1.4281 0.0000   -0.9169 1.3630 0.0000
Cl3 1.4350 -0.1275 0.0000   1.4406 -0.0193 0.0000
F4 -0.8118 -0.6514 1.0805   -0.7605 -0.7106 1.0805
F5 -0.8118 -0.6514 -1.0805   -0.7605 -0.7106 -1.0805
H6 -1.9025 1.4380 0.0000   -2.0052 1.2909 0.0000
H7 -0.4463 1.9390 0.8885   -0.5908 1.9000 0.8885
H8 -0.4463 1.9390 -0.8885   -0.5908 1.9000 -0.8885
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 F5 H6 H7 H8
C1 1.4986 1.7926 1.3432 1.3432 2.1130 2.1335 2.1335
C2 1.4986 2.7328 2.3435 2.3435 1.0908 1.0881 1.0881
Cl3 1.7926 2.7328 2.5476 2.5476 3.6865 2.9324 2.9324
F4 1.3432 2.3435 2.5476 2.1609 2.5928 2.6231 3.2742
F5 1.3432 2.3435 2.5476 2.1609 2.5928 3.2742 2.6231
H6 2.1130 1.0908 3.6865 2.5928 2.5928 1.7779 1.7779
H7 2.1335 1.0881 2.9324 2.6231 3.2742 1.7779 1.7769
H8 2.1335 1.0881 2.9324 3.2742 2.6231 1.7779 1.7769
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 111.958 C2 C1 F4 110.987
C2 C1 F5 110.987 Cl3 C1 F4 107.803
Cl3 C1 F5 107.803 F4 C1 F5 107.098
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 108.348 C1 C2 H7 110.127
C1 C2 H8 110.127 H6 C2 H7 109.371
H6 C2 H8 109.371 H7 C2 H8 109.474

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