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Geometry for CH3CH2Cl (Ethyl chloride) 1A' CS

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

BLYP/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.5217 0.7394 0.0000   -1.6557 0.3477 0.0000
C2 0.0000 0.8951 0.0000   -0.5483 -0.7075 0.0000
H3 1.9860 1.7434 0.0000   -2.6377 -0.1615 0.0000
H4 1.8585 0.1966 0.8956   -1.5894 0.9831 0.8956
H5 1.8585 0.1966 -0.8956   -1.5894 0.9831 -0.8956
Cl6 -0.8264 -0.8640 0.0000   1.1824 0.1767 0.0000
H7 -0.3926 1.3722 0.9046   -0.5302 -1.3251 0.9046
H8 -0.3926 1.3722 -0.9046   -0.5302 -1.3251 -0.9046
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 Cl6 H7 H8
C1 1.5297 1.1062 1.1001 1.1001 2.8433 2.2099 2.2099
C2 1.5297 2.1596 2.1781 2.1781 1.9435 1.0955 1.0955
H3 1.1062 2.1596 1.7920 1.7920 3.8351 2.5718 2.5718
H4 1.1001 2.1781 1.7920 1.7912 3.0225 2.5397 3.1130
H5 1.1001 2.1781 1.7920 1.7912 3.0225 3.1130 2.5397
Cl6 2.8433 1.9435 3.8351 3.0225 3.0225 2.4509 2.4509
H7 2.2099 1.0955 2.5718 2.5397 3.1130 2.4509 1.8093
H8 2.2099 1.0955 2.5718 3.1130 2.5397 2.4509 1.8093
Maximum atom distance is 3.8351Å 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 109.321
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 113.632 C1 C2 H8 113.632
C2 C1 H3 108.975 C2 C1 H4 110.781
C2 C1 H5 110.781 H3 C1 H4 108.626
H3 C1 H5 108.626 H4 C1 H5 108.999
Cl6 C2 H7 103.993 Cl6 C2 H8 103.993
H7 C2 H8 111.331

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