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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

B3PW91/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6110 0.0000   -0.0155 0.6108 0.0000
C2 0.9971 -0.5296 0.0000   1.0102 -0.5043 0.0000
Cl3 -1.6712 -0.0446 0.0000   -1.6695 -0.0869 0.0000
F4 2.2723 0.0125 0.0000   2.2712 0.0700 0.0000
H5 0.1134 1.2362 0.8958   0.0821 1.2386 0.8958
H6 0.1134 1.2362 -0.8958   0.0821 1.2386 -0.8958
H7 0.8751 -1.1573 0.8976   0.9041 -1.1348 0.8976
H8 0.8751 -1.1573 -0.8976   0.9041 -1.1348 -0.8976
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 H5 H6 H7 H8
C1 1.5150 1.7952 2.3498 1.0983 1.0983 2.1675 2.1675
C2 1.5150 2.7120 1.3856 2.1683 2.1683 1.1021 1.1021
Cl3 1.7952 2.7120 3.9439 2.3723 2.3723 2.9202 2.9202
F4 2.3498 1.3856 3.9439 2.6382 2.6382 2.0313 2.0313
H5 1.0983 2.1683 2.3723 2.6382 1.7916 2.5117 3.0863
H6 1.0983 2.1683 2.3723 2.6382 1.7916 3.0863 2.5117
H7 2.1675 1.1021 2.9202 2.0313 2.5117 3.0863 1.7953
H8 2.1675 1.1021 2.9202 2.0313 3.0863 2.5117 1.7953
Maximum atom distance is 3.9439Å 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 108.125 C2 C1 Cl3 109.740
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 110.849 C1 C2 H8 110.849
C2 C1 H5 111.137 C2 C1 H6 111.137
Cl3 C1 H5 107.701 Cl3 C1 H6 107.701
F4 C2 H7 108.948 F4 C2 H8 108.948
H5 C1 H6 109.302 H7 C2 H8 109.077

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