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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

B3LYPultrafine/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6101 0.0000   -0.0082 0.6100 0.0000
C2 1.0067 -0.5237 0.0000   1.0137 -0.5100 0.0000
Cl3 -1.6817 -0.0625 0.0000   -1.6807 -0.0852 0.0000
F4 2.2808 0.0418 0.0000   2.2801 0.0726 0.0000
H5 0.1045 1.2285 0.8892   0.0879 1.2298 0.8892
H6 0.1045 1.2285 -0.8892   0.0879 1.2298 -0.8892
H7 0.9057 -1.1444 0.8929   0.9211 -1.1321 0.8929
H8 0.9057 -1.1444 -0.8929   0.9211 -1.1321 -0.8929
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 H5 H6 H7 H8
C1 1.5162 1.8112 2.3506 1.0882 1.0882 2.1670 2.1670
C2 1.5162 2.7276 1.3940 2.1621 2.1621 1.0921 1.0921
Cl3 1.8112 2.7276 3.9639 2.3765 2.3765 2.9432 2.9432
F4 2.3506 1.3940 3.9639 2.6335 2.6335 2.0237 2.0237
H5 1.0882 2.1621 2.3765 2.6335 1.7784 2.5046 3.0739
H6 1.0882 2.1621 2.3765 2.6335 1.7784 3.0739 2.5046
H7 2.1670 1.0921 2.9432 2.0237 2.5046 3.0739 1.7858
H8 2.1670 1.0921 2.9432 2.0237 3.0739 2.5046 1.7858
Maximum atom distance is 3.9639Å 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 107.671 C2 C1 Cl3 109.805
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.323 C1 C2 H8 111.323
C2 C1 H5 111.177 C2 C1 H6 111.177
Cl3 C1 H5 107.469 Cl3 C1 H6 107.469
F4 C2 H7 108.366 F4 C2 H8 108.366
H5 C1 H6 109.604 H7 C2 H8 109.680

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