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Geometry for CH2FCH2Cl (Ethane, 1-chloro-2-fluoro-) 1A' CS

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

MP2=FULL/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6140 0.0000   -0.0237 0.6135 0.0000
C2 0.9790 -0.5403 0.0000   0.9992 -0.5021 0.0000
Cl3 -1.6588 -0.0238 0.0000   -1.6566 -0.0879 0.0000
F4 2.2620 -0.0197 0.0000   2.2610 0.0678 0.0000
H5 0.1338 1.2266 0.8903   0.0862 1.2308 0.8903
H6 0.1338 1.2266 -0.8903   0.0862 1.2308 -0.8903
H7 0.8499 -1.1568 0.8916   0.8940 -1.1231 0.8916
H8 0.8499 -1.1568 -0.8916   0.8940 -1.1231 -0.8916
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 H5 H6 H7 H8
C1 1.5136 1.7772 2.3491 1.0889 1.0889 2.1571 2.1571
C2 1.5136 2.6879 1.3846 2.1515 2.1515 1.0916 1.0916
Cl3 1.7772 2.6879 3.9208 2.3599 2.3599 2.8935 2.8935
F4 2.3491 1.3846 3.9208 2.6220 2.6220 2.0204 2.0204
H5 1.0889 2.1515 2.3599 2.6220 1.7805 2.4887 3.0608
H6 1.0889 2.1515 2.3599 2.6220 1.7805 3.0608 2.4887
H7 2.1571 1.0916 2.8935 2.0204 2.4887 3.0608 1.7832
H8 2.1571 1.0916 2.8935 2.0204 3.0608 2.4887 1.7832
Maximum atom distance is 3.9208Å 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 108.212 C2 C1 Cl3 109.270
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 110.746 C1 C2 H8 110.746
C2 C1 H5 110.462 C2 C1 H6 110.462
Cl3 C1 H5 108.455 Cl3 C1 H6 108.455
F4 C2 H7 108.780 F4 C2 H8 108.780
H5 C1 H6 109.685 H7 C2 H8 109.522

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