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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/CEP-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.3547 -0.1075 0.0000   -0.9758 0.9459 0.0000
C2 0.0000 0.6616 0.0000   -0.4214 -0.5100 0.0000
H3 2.1902 0.6279 0.0000   -2.0883 0.9113 0.0000
H4 1.4477 -0.7484 0.9002   -0.6392 1.4991 0.9002
H5 1.4477 -0.7484 -0.9002   -0.6392 1.4991 -0.9002
Cl6 -1.4625 -0.5579 0.0000   1.4827 -0.5016 0.0000
H7 -0.1335 1.2789 0.9074   -0.7117 -1.0709 0.9074
H8 -0.1335 1.2789 -0.9074   -0.7117 -1.0709 -0.9074
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 Cl6 H7 H8
C1 1.5578 1.1130 1.1089 1.1089 2.8530 2.2272 2.2272
C2 1.5578 2.1905 2.2122 2.2122 1.9042 1.1056 1.1056
H3 1.1130 2.1905 1.8043 1.8043 3.8404 2.5782 2.5782
H4 1.1089 2.2122 1.8043 1.8003 3.0522 2.5710 3.1428
H5 1.1089 2.2122 1.8043 1.8003 3.0522 3.1428 2.5710
Cl6 2.8530 1.9042 3.8404 3.0522 3.0522 2.4420 2.4420
H7 2.2272 1.1056 2.5782 2.5710 3.1428 2.4420 1.8149
H8 2.2272 1.1056 2.5782 3.1428 2.5710 2.4420 1.8149
Maximum atom distance is 3.8404Å 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 110.596
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.375 C1 C2 H8 112.375
C2 C1 H3 109.066 C2 C1 H4 110.991
C2 C1 H5 110.991 H3 C1 H4 108.597
H3 C1 H5 108.597 H4 C1 H5 108.536
Cl6 C2 H7 105.355 Cl6 C2 H8 105.355
H7 C2 H8 110.324

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