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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/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6042 0.0000   -0.0197 0.6039 0.0000
C2 0.9829 -0.5453 0.0000   1.0001 -0.5130 0.0000
Cl3 -1.6635 -0.0289 0.0000   -1.6617 -0.0831 0.0000
F4 2.2649 0.0030 0.0000   2.2636 0.0769 0.0000
H5 0.1350 1.2200 0.8888   0.0951 1.2237 0.8888
H6 0.1350 1.2200 -0.8888   0.0951 1.2237 -0.8888
H7 0.8646 -1.1649 0.8921   0.9021 -1.1361 0.8921
H8 0.8646 -1.1649 -0.8921   0.9021 -1.1361 -0.8921
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 H5 H6 H7 H8
C1 1.5124 1.7799 2.3433 1.0896 1.0896 2.1618 2.1618
C2 1.5124 2.6963 1.3944 2.1506 2.1506 1.0926 1.0926
Cl3 1.7799 2.6963 3.9285 2.3631 2.3631 2.9117 2.9117
F4 2.3433 1.3944 3.9285 2.6091 2.6091 2.0299 2.0299
H5 1.0896 2.1506 2.3631 2.6091 1.7776 2.4940 3.0646
H6 1.0896 2.1506 2.3631 2.6091 1.7776 3.0646 2.4940
H7 2.1618 1.0926 2.9117 2.0299 2.4940 3.0646 1.7842
H8 2.1618 1.0926 2.9117 2.0299 3.0646 2.4940 1.7842
Maximum atom distance is 3.9285Å 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 107.374 C2 C1 Cl3 109.695
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.143 C1 C2 H8 111.143
C2 C1 H5 110.427 C2 C1 H6 110.427
Cl3 C1 H5 108.466 Cl3 C1 H6 108.466
F4 C2 H7 108.816 F4 C2 H8 108.816
H5 C1 H6 109.311 H7 C2 H8 109.472

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