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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/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.5182 0.7015 0.0000   -1.6261 0.3908 0.0000
C2 0.0000 0.8345 0.0000   -0.5173 -0.6548 0.0000
H3 1.9716 1.7065 0.0000   -2.6050 -0.1168 0.0000
H4 1.8747 0.1671 0.8907   -1.5746 1.0311 0.8907
H5 1.8747 0.1671 -0.8907   -1.5746 1.0311 -0.8907
Cl6 -0.8283 -0.8206 0.0000   1.1586 0.1304 0.0000
H7 -0.3746 1.3465 0.8929   -0.5408 -1.2887 0.8929
H8 -0.3746 1.3465 -0.8929   -0.5408 -1.2887 -0.8929
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 Cl6 H7 H8
C1 1.5240 1.1026 1.0982 1.0982 2.7969 2.1900 2.1900
C2 1.5240 2.1558 2.1802 2.1802 1.8508 1.0953 1.0953
H3 1.1026 2.1558 1.7812 1.7812 3.7717 2.5361 2.5361
H4 1.0982 2.1802 1.7812 1.7815 3.0124 2.5397 3.1035
H5 1.0982 2.1802 1.7812 1.7815 3.0124 3.1035 2.5397
Cl6 2.7969 1.8508 3.7717 3.0124 3.0124 2.3873 2.3873
H7 2.1900 1.0953 2.5361 2.5397 3.1035 2.3873 1.7859
H8 2.1900 1.0953 2.5361 3.1035 2.5397 2.3873 1.7859
Maximum atom distance is 3.7717Å 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 111.577
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.427 C1 C2 H8 112.427
C2 C1 H3 109.272 C2 C1 H4 111.459
C2 C1 H5 111.459 H3 C1 H4 108.064
H3 C1 H5 108.064 H4 C1 H5 108.404
Cl6 C2 H7 105.361 Cl6 C2 H8 105.361
H7 C2 H8 109.219

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