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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

mPW1PW91/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6076 0.0000   -0.0241 -0.6072 0.0000
C2 0.9960 -0.5331 0.0000   -0.9741 0.5722 0.0000
Cl3 -1.6663 -0.0412 0.0000   1.6667 -0.0250 0.0000
F4 2.2633 0.0124 0.0000   -2.2620 0.0774 0.0000
H5 0.1186 1.2267 0.8887   -0.1672 -1.2210 0.8887
H6 0.1186 1.2267 -0.8887   -0.1672 -1.2210 -0.8887
H7 0.8724 -1.1558 0.8906   -0.8258 1.1895 0.8906
H8 0.8724 -1.1558 -0.8906   -0.8258 1.1895 -0.8906
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 H5 H6 H7 H8
C1 1.5144 1.7882 2.3403 1.0895 1.0895 2.1596 2.1596
C2 1.5144 2.7074 1.3797 2.1579 2.1579 1.0937 1.0937
Cl3 1.7882 2.7074 3.9300 2.3630 2.3630 2.9122 2.9122
F4 2.3403 1.3797 3.9300 2.6199 2.6199 2.0230 2.0230
H5 1.0895 2.1579 2.3630 2.6199 1.7774 2.4988 3.0676
H6 1.0895 2.1579 2.3630 2.6199 1.7774 3.0676 2.4988
H7 2.1596 1.0937 2.9122 2.0230 2.4988 3.0676 1.7812
H8 2.1596 1.0937 2.9122 2.0230 3.0676 2.4988 1.7812
Maximum atom distance is 3.9300Å 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 107.836 C2 C1 Cl3 109.850
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 110.764 C1 C2 H8 110.764
C2 C1 H5 110.878 C2 C1 H6 110.878
Cl3 C1 H5 107.916 Cl3 C1 H6 107.916
F4 C2 H7 109.202 F4 C2 H8 109.202
H5 C1 H6 109.308 H7 C2 H8 109.039

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