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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

HSEh1PBE/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6143 0.0000   -0.0189 0.6140 0.0000
C2 0.9840 -0.5349 0.0000   1.0000 -0.5044 0.0000
Cl3 -1.6652 -0.0365 0.0000   -1.6633 -0.0877 0.0000
F4 2.2691 -0.0013 0.0000   2.2681 0.0685 0.0000
H5 0.1202 1.2325 0.8909   0.0822 1.2356 0.8909
H6 0.1202 1.2325 -0.8909   0.0822 1.2356 -0.8909
H7 0.8711 -1.1547 0.8943   0.9062 -1.1274 0.8943
H8 0.8711 -1.1547 -0.8943   0.9062 -1.1274 -0.8943
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 H5 H6 H7 H8
C1 1.5129 1.7879 2.3511 1.0910 1.0910 2.1652 2.1652
C2 1.5129 2.6957 1.3915 2.1595 2.1595 1.0939 1.0939
Cl3 1.7879 2.6957 3.9345 2.3647 2.3647 2.9126 2.9126
F4 2.3511 1.3915 3.9345 2.6332 2.6332 2.0210 2.0210
H5 1.0910 2.1595 2.3647 2.6332 1.7818 2.5026 3.0740
H6 1.0910 2.1595 2.3647 2.6332 1.7818 3.0740 2.5026
H7 2.1652 1.0939 2.9126 2.0210 2.5026 3.0740 1.7885
H8 2.1652 1.0939 2.9126 2.0210 3.0740 2.5026 1.7885
Maximum atom distance is 3.9345Å 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 108.022 C2 C1 Cl3 109.223
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.305 C1 C2 H8 111.305
C2 C1 H5 111.023 C2 C1 H6 111.023
Cl3 C1 H5 107.990 Cl3 C1 H6 107.990
F4 C2 H7 108.215 F4 C2 H8 108.215
H5 C1 H6 109.493 H7 C2 H8 109.665

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