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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/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.3311 0.0136 0.0000   0.3312 0.0122 0.0000
C2 -0.8113 1.4332 0.0000   0.9201 -1.3660 0.0000
Cl3 1.4266 -0.1313 0.0000   -1.4325 0.0202 0.0000
F4 -0.8113 -0.6528 1.0938   0.7582 0.7137 1.0938
F5 -0.8113 -0.6528 -1.0938   0.7582 0.7137 -1.0938
H6 -1.8979 1.4192 0.0000   2.0023 -1.2677 0.0000
H7 -0.4482 1.9405 0.8880   0.5975 -1.8999 0.8880
H8 -0.4482 1.9405 -0.8880   0.5975 -1.8999 -0.8880
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 F5 H6 H7 H8
C1 1.4987 1.7637 1.3678 1.3678 2.1049 2.1249 2.1249
C2 1.4987 2.7305 2.3553 2.3553 1.0867 1.0852 1.0852
Cl3 1.7637 2.7305 2.5449 2.5449 3.6683 2.9319 2.9319
F4 1.3678 2.3553 2.5449 2.1875 2.5826 2.6266 3.2839
F5 1.3678 2.3553 2.5449 2.1875 2.5826 3.2839 2.6266
H6 2.1049 1.0867 3.6683 2.5826 2.5826 1.7782 1.7782
H7 2.1249 1.0852 2.9319 2.6266 3.2839 1.7782 1.7760
H8 2.1249 1.0852 2.9319 3.2839 2.6266 1.7782 1.7760
Maximum atom distance is 3.6683Å 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 113.397 C2 C1 F4 110.426
C2 C1 F5 110.426 Cl3 C1 F4 108.051
Cl3 C1 F5 108.051 F4 C1 F5 106.194
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 107.947 C1 C2 H7 109.610
C1 C2 H8 109.610 H6 C2 H7 109.910
H6 C2 H8 109.910 H7 C2 H8 109.824

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