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Geometry for CH3CHClCH3 (Propane, 2-chloro-) 1A' CS

1910171554
InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3 INChIKey=ULYZAYCEDJDHCC-UHFFFAOYSA-N

B2PLYP/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.8907 1.0232 0.0000   1.3558 0.0000 -0.0451
C2 0.5702 -0.0696 0.0000   -0.4139 0.0000 0.3984
C3 0.5702 -0.9056 1.2701   -1.0623 1.2701 -0.1293
C4 0.5702 -0.9056 -1.2701   -1.0623 -1.2701 -0.1293
H5 1.4202 0.6148 0.0000   -0.4195 0.0000 1.4896
H6 1.4705 -1.5283 1.2945   -2.1136 1.2945 0.1761
H7 1.4705 -1.5283 -1.2945   -2.1136 -1.2945 0.1761
H8 0.5623 -0.2737 2.1600   -0.5671 2.1600 0.2634
H9 0.5623 -0.2737 -2.1600   -0.5671 -2.1600 0.2634
H10 -0.3044 -1.5600 1.3009   -1.0179 1.3009 -1.2207
H11 -0.3044 -1.5600 -1.3009   -1.0179 -1.3009 -1.2207
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.8244 2.7327 2.7327 2.3467 3.7096 3.7096 2.9083 2.9083 2.9511 2.9511
C2 1.8244 1.5205 1.5205 1.0913 2.1480 2.1480 2.1696 2.1696 2.1630 2.1630
C3 2.7327 1.5205 2.5401 2.1557 1.0949 2.7884 1.0915 3.4878 1.0928 2.7934
C4 2.7327 1.5205 2.5401 2.1557 2.7884 1.0949 3.4878 1.0915 2.7934 1.0928
H5 2.3467 1.0913 2.1557 2.1557 2.5042 2.5042 2.4882 2.4882 3.0653 3.0653
H6 3.7096 2.1480 1.0949 2.7884 2.5042 2.5889 1.7743 3.7858 1.7752 3.1444
H7 3.7096 2.1480 2.7884 1.0949 2.5042 2.5889 3.7858 1.7743 3.1444 1.7752
H8 2.9083 2.1696 1.0915 3.4878 2.4882 1.7743 3.7858 4.3200 1.7730 3.7926
H9 2.9083 2.1696 3.4878 1.0915 2.4882 3.7858 1.7743 4.3200 3.7926 1.7730
H10 2.9511 2.1630 1.0928 2.7934 3.0653 1.7752 3.1444 1.7730 3.7926 2.6019
H11 2.9511 2.1630 2.7934 1.0928 3.0653 3.1444 1.7752 3.7926 1.7730 2.6019
Maximum atom distance is 4.3200Å between atoms H8 and H9.
picture of Propane, 2-chloro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C2 C3 109.228 Cl1 C2 C4 109.228
C3 C2 C4 113.293
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 55.886 C2 C3 H6 109.347
C2 C3 H8 111.268 C2 C3 H10 110.661
C2 C4 H7 109.347 C2 C4 H9 111.268
C2 C4 H11 110.661 C3 C2 H5 110.171
C4 C2 H5 110.171 H6 C3 H8 108.487
H6 C3 H10 108.476 H7 C4 H9 108.487
H7 C4 H11 108.476 H8 C3 H10 108.530
H9 C4 H11 108.530

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