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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

CCD/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.3393 0.0042 0.0000   -0.3385 -0.0228 0.0000
C2 -0.8124 1.4318 0.0000   -0.9240 1.3625 0.0000
Cl3 1.4314 -0.1310 0.0000   1.4373 -0.0164 0.0000
F4 -0.8124 -0.6495 1.0877   -0.7579 -0.7123 1.0877
F5 -0.8124 -0.6495 -1.0877   -0.7579 -0.7123 -1.0877
H6 -1.9004 1.4214 0.0000   -2.0077 1.2652 0.0000
H7 -0.4508 1.9408 0.8888   -0.6042 1.8986 0.8888
H8 -0.4508 1.9408 -0.8888   -0.6042 1.8986 -0.8888
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 F5 H6 H7 H8
C1 1.5039 1.7759 1.3544 1.3544 2.1084 2.1337 2.1337
C2 1.5039 2.7344 2.3485 2.3485 1.0881 1.0861 1.0861
Cl3 1.7759 2.7344 2.5469 2.5469 3.6757 2.9369 2.9369
F4 1.3544 2.3485 2.5469 2.1754 2.5799 2.6230 3.2783
F5 1.3544 2.3485 2.5469 2.1754 2.5799 3.2783 2.6230
H6 2.1084 1.0881 3.6757 2.5799 2.5799 1.7779 1.7779
H7 2.1337 1.0861 2.9369 2.6230 3.2783 1.7779 1.7776
H8 2.1337 1.0861 2.9369 3.2783 2.6230 1.7779 1.7776
Maximum atom distance is 3.6757Å 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 112.703 C2 C1 F4 110.386
C2 C1 F5 110.386 Cl3 C1 F4 108.150
Cl3 C1 F5 108.150 F4 C1 F5 106.856
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 107.783 C1 C2 H7 109.883
C1 C2 H8 109.883 H6 C2 H7 109.717
H6 C2 H8 109.717 H7 C2 H8 109.829

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