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Geometry for CH3CH2Cl (Ethyl chloride) 1A' CS

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

PBEPBE/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.5130 0.6760 0.0000   -1.6113 0.3872 0.0000
C2 0.0000 0.8190 0.0000   -0.4996 -0.6490 0.0000
H3 1.9749 1.6799 0.0000   -2.5897 -0.1266 0.0000
H4 1.8620 0.1342 0.8937   -1.5574 1.0294 0.8937
H5 1.8620 0.1342 -0.8937   -1.5574 1.0294 -0.8937
Cl6 -0.8265 -0.8009 0.0000   1.1435 0.1305 0.0000
H7 -0.3630 1.3485 0.8943   -0.5348 -1.2900 0.8943
H8 -0.3630 1.3485 -0.8943   -0.5348 -1.2900 -0.8943
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 Cl6 H7 H8
C1 1.5198 1.1051 1.1018 1.1018 2.7668 2.1844 2.1844
C2 1.5198 2.1544 2.1760 2.1760 1.8186 1.1009 1.1009
H3 1.1051 2.1544 1.7890 1.7890 3.7420 2.5250 2.5250
H4 1.1018 2.1760 1.7890 1.7874 2.9835 2.5348 3.1020
H5 1.1018 2.1760 1.7890 1.7874 2.9835 3.1020 2.5348
Cl6 2.7668 1.8186 3.7420 2.9835 2.9835 2.3737 2.3737
H7 2.1844 1.1009 2.5250 2.5348 3.1020 2.3737 1.7886
H8 2.1844 1.1009 2.5250 3.1020 2.5348 2.3737 1.7886
Maximum atom distance is 3.7420Å 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 111.633
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.934 C1 C2 H8 111.934
C2 C1 H3 109.306 C2 C1 H4 111.198
C2 C1 H5 111.198 H3 C1 H4 108.320
H3 C1 H5 108.320 H4 C1 H5 108.410
Cl6 C2 H7 106.173 Cl6 C2 H8 106.173
H7 C2 H8 108.658

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