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Geometry for CH3CH2Cl (Ethyl chloride) 1A' CS

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

B3LYP/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.5107 0.6737 0.0000   -1.6058 0.3964 0.0000
C2 0.0000 0.8193 0.0000   -0.5033 -0.6465 0.0000
H3 1.9712 1.6684 0.0000   -2.5803 -0.1055 0.0000
H4 1.8542 0.1348 0.8865   -1.5459 1.0327 0.8865
H5 1.8542 0.1348 -0.8865   -1.5459 1.0327 -0.8865
Cl6 -0.8246 -0.7984 0.0000   1.1411 0.1235 0.0000
H7 -0.3627 1.3390 0.8875   -0.5363 -1.2794 0.8875
H8 -0.3627 1.3390 -0.8875   -0.5363 -1.2794 -0.8875
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 Cl6 H7 H8
C1 1.5177 1.0962 1.0928 1.0928 2.7605 2.1772 2.1772
C2 1.5177 2.1463 2.1662 2.1662 1.8157 1.0906 1.0906
H3 1.0962 2.1463 1.7752 1.7752 3.7285 2.5186 2.5186
H4 1.0928 2.1662 1.7752 1.7730 2.9720 2.5229 3.0842
H5 1.0928 2.1662 1.7752 1.7730 2.9720 3.0842 2.5229
Cl6 2.7605 1.8157 3.7285 2.9720 2.9720 2.3600 2.3600
H7 2.1772 1.0906 2.5186 2.5229 3.0842 2.3600 1.7751
H8 2.1772 1.0906 2.5186 3.0842 2.5229 2.3600 1.7751
Maximum atom distance is 3.7285Å 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 111.504
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.135 C1 C2 H8 112.135
C2 C1 H3 109.339 C2 C1 H4 111.114
C2 C1 H5 111.114 H3 C1 H4 108.384
H3 C1 H5 108.384 H4 C1 H5 108.424
Cl6 C2 H7 105.875 Cl6 C2 H8 105.875
H7 C2 H8 108.937

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