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Geometry for CH3CH2Cl (Ethyl chloride) 1A' CS

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

MP2=FULL/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.5000 0.6392 0.0000   1.5846 -0.3840 0.0000
C2 0.0000 0.8106 0.0000   0.4845 0.6499 0.0000
H3 1.9749 1.6207 0.0000   2.5520 0.1190 0.0000
H4 1.8265 0.0953 0.8832   1.5213 -1.0153 0.8832
H5 1.8265 0.0953 -0.8832   1.5213 -1.0153 -0.8832
Cl6 -0.8195 -0.7754 0.0000   -1.1205 -0.1318 0.0000
H7 -0.3476 1.3360 0.8852   0.5198 1.2789 0.8852
H8 -0.3476 1.3360 -0.8852   0.5198 1.2789 -0.8852
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 Cl6 H7 H8
C1 1.5097 1.0903 1.0874 1.0874 2.7169 2.1640 2.1640
C2 1.5097 2.1345 2.1513 2.1513 1.7853 1.0865 1.0865
H3 1.0903 2.1345 1.7689 1.7689 3.6811 2.5018 2.5018
H4 1.0874 2.1513 1.7689 1.7664 2.9223 2.5032 3.0649
H5 1.0874 2.1513 1.7689 1.7664 2.9223 3.0649 2.5032
Cl6 2.7169 1.7853 3.6811 2.9223 2.9223 2.3376 2.3376
H7 2.1640 1.0865 2.5018 2.5032 3.0649 2.3376 1.7705
H8 2.1640 1.0865 2.5018 3.0649 2.5032 2.3376 1.7705
Maximum atom distance is 3.6811Å 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 110.806
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.889 C1 C2 H8 111.889
C2 C1 H3 109.301 C2 C1 H4 110.802
C2 C1 H5 110.802 H3 C1 H4 108.629
H3 C1 H5 108.629 H4 C1 H5 108.621
Cl6 C2 H7 106.420 Cl6 C2 H8 106.420
H7 C2 H8 109.128

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