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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

B1B95/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6204 0.0000   0.0180 0.6202 0.0000
C2 1.0196 -0.4894 0.0000   1.0051 -0.5187 0.0000
Cl3 -1.7001 -0.1326 0.0000   -1.7032 -0.0833 0.0000
F4 2.3070 0.1349 0.0000   2.3099 0.0680 0.0000
H5 0.0693 1.2362 0.8919   0.1050 1.2337 0.8919
H6 0.0693 1.2362 -0.8919   0.1050 1.2337 -0.8919
H7 0.9412 -1.1095 0.8922   0.9087 -1.1363 0.8922
H8 0.9412 -1.1095 -0.8922   0.9087 -1.1363 -0.8922
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 H5 H6 H7 H8
C1 1.5071 1.8594 2.3575 1.0861 1.0861 2.1621 2.1621
C2 1.5071 2.7431 1.4307 2.1626 2.1626 1.0894 1.0894
Cl3 1.8594 2.7431 4.0160 2.4083 2.4083 2.9541 2.9541
F4 2.3575 1.4307 4.0160 2.6487 2.6487 2.0518 2.0518
H5 1.0861 2.1626 2.4083 2.6487 1.7839 2.5026 3.0734
H6 1.0861 2.1626 2.4083 2.6487 1.7839 3.0734 2.5026
H7 2.1621 1.0894 2.9541 2.0518 2.5026 3.0734 1.7844
H8 2.1621 1.0894 2.9541 2.0518 3.0734 2.5026 1.7844
Maximum atom distance is 4.0160Å 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 106.703 C2 C1 Cl3 108.685
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.744 C1 C2 H8 111.744
C2 C1 H5 111.986 C2 C1 H6 111.986
Cl3 C1 H5 106.735 Cl3 C1 H6 106.735
F4 C2 H7 108.252 F4 C2 H8 108.252
H5 C1 H6 110.420 H7 C2 H8 109.973

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