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Geometry for (Ethane, 1-chloro-2-fluoro-) 1A' CS

1910171554
InChI=1S/C2H4ClF/c3-1-2-4/h1-2H2 INChIKey=VEZJSKSPVQQGIS-UHFFFAOYSA-N

MP2=FULL/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6194 0.0000   -0.0216 0.6190 0.0000
C2 0.9669 -0.5311 0.0000   0.9848 -0.4971 0.0000
Cl3 -1.6486 -0.0323 0.0000   -1.6465 -0.0898 0.0000
F4 2.2552 -0.0169 0.0000   2.2544 0.0617 0.0000
H5 0.1240 1.2288 0.8866   0.0811 1.2324 0.8866
H6 0.1240 1.2288 -0.8866   0.0811 1.2324 -0.8866
H7 0.8404 -1.1430 0.8885   0.8798 -1.1130 0.8885
H8 0.8404 -1.1430 -0.8885   0.8798 -1.1130 -0.8885
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 H5 H6 H7 H8
C1 1.5028 1.7727 2.3432 1.0829 1.0829 2.1451 2.1451
C2 1.5028 2.6626 1.3872 2.1433 2.1433 1.0862 1.0862
Cl3 1.7727 2.6626 3.9038 2.3492 2.3492 2.8668 2.8668
F4 2.3432 1.3872 3.9038 2.6229 2.6229 2.0147 2.0147
H5 1.0829 2.1433 2.3492 2.6229 1.7731 2.4776 3.0478
H6 1.0829 2.1433 2.3492 2.6229 1.7731 3.0478 2.4776
H7 2.1451 1.0862 2.8668 2.0147 2.4776 3.0478 1.7770
H8 2.1451 1.0862 2.8668 2.0147 3.0478 2.4776 1.7770
Maximum atom distance is 3.9038Å between atoms Cl3 and F4.
picture of Ethane, 1-chloro-2-fluoro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F4 108.284 C2 C1 Cl3 108.475
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 110.876 C1 C2 H8 110.876
C2 C1 H5 110.924 C2 C1 H6 110.924
Cl3 C1 H5 108.262 Cl3 C1 H6 108.262
F4 C2 H7 108.478 F4 C2 H8 108.478
H5 C1 H6 109.904 H7 C2 H8 109.773

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