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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

TPSSh/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.3545 -0.0016 0.0000   0.3531 0.0309 0.0000
C2 -0.8156 1.4368 0.0000   0.9312 -1.3647 0.0000
Cl3 1.4412 -0.1274 0.0000   -1.4468 0.0082 0.0000
F4 -0.8156 -0.6541 1.0866   0.7589 0.7191 1.0866
F5 -0.8156 -0.6541 -1.0866   0.7589 0.7191 -1.0866
H6 -1.9066 1.4415 0.0000   2.0189 -1.2795 0.0000
H7 -0.4470 1.9438 0.8895   0.6056 -1.9003 0.8895
H8 -0.4470 1.9438 -0.8895   0.6056 -1.9003 -0.8895
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 F5 H6 H7 H8
C1 1.5105 1.8001 1.3487 1.3487 2.1194 2.1411 2.1411
C2 1.5105 2.7459 2.3564 2.3564 1.0911 1.0882 1.0882
Cl3 1.8001 2.7459 2.5596 2.5596 3.6973 2.9404 2.9404
F4 1.3487 2.3564 2.5596 2.1732 2.6006 2.6313 3.2848
F5 1.3487 2.3564 2.5596 2.1732 2.6006 3.2848 2.6313
H6 2.1194 1.0911 3.6973 2.6006 2.6006 1.7816 1.7816
H7 2.1411 1.0882 2.9404 2.6313 3.2848 1.7816 1.7790
H8 2.1411 1.0882 2.9404 3.2848 2.6313 1.7816 1.7790
Maximum atom distance is 3.6973Å 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 111.779 C2 C1 F4 110.875
C2 C1 F5 110.875 Cl3 C1 F4 107.894
Cl3 C1 F5 107.894 F4 C1 F5 107.345
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 108.022 C1 C2 H7 109.892
C1 C2 H8 109.892 H6 C2 H7 109.678
H6 C2 H8 109.678 H7 C2 H8 109.656

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