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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

QCISD/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.4111 -0.0060 0.0000   0.4091 0.0405 0.0000
C2 -0.8485 1.4387 0.0000   0.9663 -1.3624 0.0000
Cl3 1.5125 -0.1031 0.0000   -1.5158 -0.0242 0.0000
F4 -0.8485 -0.6769 1.1203   0.7887 0.7458 1.1203
F5 -0.8485 -0.6769 -1.1203   0.7887 0.7458 -1.1203
H6 -1.9463 1.4695 0.0000   2.0628 -1.3009 0.0000
H7 -0.4673 1.9363 0.8957   0.6282 -1.8903 0.8957
H8 -0.4673 1.9363 -0.8957   0.6282 -1.8903 -0.8957
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 F5 H6 H7 H8
C1 1.5095 1.9260 1.3771 1.3771 2.1293 2.1396 2.1396
C2 1.5095 2.8199 2.3939 2.3939 1.0982 1.0933 1.0933
Cl3 1.9260 2.8199 2.6756 2.6756 3.7995 2.9801 2.9801
F4 1.3771 2.3939 2.6756 2.2405 2.6584 2.6504 3.3224
F5 1.3771 2.3939 2.6756 2.2405 2.6584 3.3224 2.6504
H6 2.1293 1.0982 3.7995 2.6584 2.6584 1.7910 1.7910
H7 2.1396 1.0933 2.9801 2.6504 3.3224 1.7910 1.7914
H8 2.1396 1.0933 2.9801 3.3224 2.6504 1.7910 1.7914
Maximum atom distance is 3.7995Å 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 109.739 C2 C1 F4 111.974
C2 C1 F5 111.974 Cl3 C1 F4 107.020
Cl3 C1 F5 107.020 F4 C1 F5 108.873
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 108.456 C1 C2 H7 109.547
C1 C2 H8 109.547 H6 C2 H7 109.622
H6 C2 H8 109.622 H7 C2 H8 110.024

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