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Geometry for CH3CH2Cl (Ethyl chloride) 1A' CS

1910171554
InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3 INChIKey=HRYZWHHZPQKTII-UHFFFAOYSA-N

PBE1PBE/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.5051 0.6601 0.0000   -1.5943 0.3989 0.0000
C2 0.0000 0.8106 0.0000   -0.4961 -0.6411 0.0000
H3 1.9702 1.6531 0.0000   -2.5698 -0.1018 0.0000
H4 1.8463 0.1193 0.8872   -1.5332 1.0355 0.8872
H5 1.8463 0.1193 -0.8872   -1.5332 1.0355 -0.8872
Cl6 -0.8226 -0.7880 0.0000   1.1328 0.1198 0.0000
H7 -0.3545 1.3395 0.8873   -0.5393 -1.2764 0.8873
H8 -0.3545 1.3395 -0.8873   -0.5393 -1.2764 -0.8873
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 Cl6 H7 H8
C1 1.5126 1.0965 1.0937 1.0937 2.7413 2.1696 2.1696
C2 1.5126 2.1427 2.1619 2.1619 1.7978 1.0921 1.0921
H3 1.0965 2.1427 1.7762 1.7762 3.7092 2.5080 2.5080
H4 1.0937 2.1619 1.7762 1.7744 2.9552 2.5165 3.0792
H5 1.0937 2.1619 1.7762 1.7744 2.9552 3.0792 2.5165
Cl6 2.7413 1.7978 3.7092 2.9552 2.9552 2.3521 2.3521
H7 2.1696 1.0921 2.5080 2.5165 3.0792 2.3521 1.7746
H8 2.1696 1.0921 2.5080 3.0792 2.5165 2.3521 1.7746
Maximum atom distance is 3.7092Å between atoms H3 and Cl6.
picture of Ethyl chloride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Cl6 111.519
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.790 C1 C2 H8 111.790
C2 C1 H3 109.389 C2 C1 H4 111.079
C2 C1 H5 111.079 H3 C1 H4 108.388
H3 C1 H5 108.388 H4 C1 H5 108.436
Cl6 C2 H7 106.385 Cl6 C2 H8 106.385
H7 C2 H8 108.671

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