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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

TPSSh/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6274 0.0000   -0.0268 -0.6269 0.0000
C2 0.9883 -0.5249 0.0000   -0.9649 0.5667 0.0000
Cl3 -1.6752 -0.0608 0.0000   1.6763 -0.0108 0.0000
F4 2.2866 0.0243 0.0000   -2.2856 0.0735 0.0000
H5 0.0978 1.2431 0.8993   -0.1508 -1.2378 0.8993
H6 0.0978 1.2431 -0.8993   -0.1508 -1.2378 -0.8993
H7 0.8867 -1.1432 0.9008   -0.8370 1.1801 0.9008
H8 0.8867 -1.1432 -0.9008   -0.8370 1.1801 -0.9008
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 H5 H6 H7 H8
C1 1.5181 1.8111 2.3649 1.0943 1.0943 2.1755 2.1755
C2 1.5181 2.7036 1.4097 2.1743 2.1743 1.0973 1.0973
Cl3 1.8111 2.7036 3.9627 2.3775 2.3775 2.9234 2.9234
F4 2.3649 1.4097 3.9627 2.6618 2.6618 2.0333 2.0333
H5 1.0943 2.1743 2.3775 2.6618 1.7987 2.5133 3.0915
H6 1.0943 2.1743 2.3775 2.6618 1.7987 3.0915 2.5133
H7 2.1755 1.0973 2.9234 2.0333 2.5133 3.0915 1.8015
H8 2.1755 1.0973 2.9234 2.0333 3.0915 2.5133 1.8015
Maximum atom distance is 3.9627Å 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 107.689 C2 C1 Cl3 108.282
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.560 C1 C2 H8 111.560
C2 C1 H5 111.648 C2 C1 H6 111.648
Cl3 C1 H5 107.246 Cl3 C1 H6 107.246
F4 C2 H7 107.745 F4 C2 H8 107.745
H5 C1 H6 110.545 H7 C2 H8 110.352

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