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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

CCSD/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.8900 1.0114 0.0000   -0.5665 -0.6865 1.0114
C2 0.5702 -0.0593 0.0000   0.3629 0.4398 -0.0593
C3 0.5702 -0.8989 1.2682   1.3410 -0.3674 -0.8989
C4 0.5702 -0.8989 -1.2682   -0.6152 1.2469 -0.8989
H5 1.4155 0.6295 0.0000   0.9009 1.0917 0.6295
H6 1.4710 -1.5195 1.2922   1.9330 0.3121 -1.5195
H7 1.4710 -1.5195 -1.2922   -0.0604 1.9571 -1.5195
H8 0.5584 -0.2672 2.1573   2.0193 -0.9425 -0.2672
H9 0.5584 -0.2672 -2.1573   -1.3085 1.8038 -0.2672
H10 -0.3034 -1.5538 1.2944   0.8052 -1.0579 -1.5538
H11 -0.3034 -1.5538 -1.2944   -1.1915 0.5899 -1.5538
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.8107 2.7184 2.7184 2.3369 3.6946 3.6946 2.8960 2.8960 2.9326 2.9326
C2 1.8107 1.5209 1.5209 1.0904 2.1479 2.1479 2.1674 2.1674 2.1615 2.1615
C3 2.7184 1.5209 2.5363 2.1584 1.0942 2.7843 1.0908 3.4833 1.0921 2.7854
C4 2.7184 1.5209 2.5363 2.1584 2.7843 1.0942 3.4833 1.0908 2.7854 1.0921
H5 2.3369 1.0904 2.1584 2.1584 2.5082 2.5082 2.4885 2.4885 3.0655 3.0655
H6 3.6946 2.1479 1.0942 2.7843 2.5082 2.5845 1.7747 3.7816 1.7748 3.1369
H7 3.6946 2.1479 2.7843 1.0942 2.5082 2.5845 3.7816 1.7747 3.1369 1.7748
H8 2.8960 2.1674 1.0908 3.4833 2.4885 1.7747 3.7816 4.3147 1.7728 3.7832
H9 2.8960 2.1674 3.4833 1.0908 2.4885 3.7816 1.7747 4.3147 3.7832 1.7728
H10 2.9326 2.1615 1.0921 2.7854 3.0655 1.7748 3.1369 1.7728 3.7832 2.5888
H11 2.9326 2.1615 2.7854 1.0921 3.0655 3.1369 1.7748 3.7832 1.7728 2.5888
Maximum atom distance is 4.3147Å 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 109.052 Cl1 C2 C4 109.052
C3 C2 C4 112.985
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 55.852 C2 C3 H6 109.356
C2 C3 H8 111.100 C2 C3 H10 110.553
C2 C4 H7 109.356 C2 C4 H9 111.100
C2 C4 H11 110.553 C3 C2 H5 110.409
C4 C2 H5 110.409 H6 C3 H8 108.628
H6 C3 H10 108.537 H7 C4 H9 108.628
H7 C4 H11 108.537 H8 C3 H10 108.607
H9 C4 H11 108.607

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