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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

QCISD/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.9600 1.0322 0.0000   1.4090 0.0000 -0.0430
C2 0.6187 -0.0820 0.0000   -0.4690 0.0000 0.4117
C3 0.6187 -0.9130 1.2888   -1.0945 1.2888 -0.1354
C4 0.6187 -0.9130 -1.2888   -1.0945 -1.2888 -0.1354
H5 1.4296 0.6577 0.0000   -0.4462 0.0000 1.5091
H6 1.5397 -1.5217 1.3263   -2.1591 1.3263 0.1571
H7 1.5397 -1.5217 -1.3263   -2.1591 -1.3263 0.1571
H8 0.5875 -0.2679 2.1793   -0.5884 2.1793 0.2658
H9 0.5875 -0.2679 -2.1793   -0.5884 -2.1793 0.2658
H10 -0.2504 -1.5893 1.3143   -1.0314 1.3143 -1.2348
H11 -0.2504 -1.5893 -1.3143   -1.0314 -1.3143 -1.2348
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.9322 2.8173 2.8173 2.4188 3.8118 3.8118 2.9723 2.9723 3.0171 3.0171
C2 1.9322 1.5335 1.5335 1.0976 2.1634 2.1634 2.1875 2.1875 2.1805 2.1805
C3 2.8173 1.5335 2.5776 2.1876 1.1046 2.8386 1.1001 3.5278 1.1015 2.8264
C4 2.8173 1.5335 2.5776 2.1876 2.8386 1.1046 3.5278 1.1001 2.8264 1.1015
H5 2.4188 1.0976 2.1876 2.1876 2.5536 2.5536 2.5130 2.5130 3.0982 3.0982
H6 3.8118 2.1634 1.1046 2.8386 2.5536 2.6526 1.7907 3.8430 1.7914 3.1909
H7 3.8118 2.1634 2.8386 1.1046 2.5536 2.6526 3.8430 1.7907 3.1909 1.7914
H8 2.9723 2.1875 1.1001 3.5278 2.5130 1.7907 3.8430 4.3587 1.7879 3.8280
H9 2.9723 2.1875 3.5278 1.1001 2.5130 3.8430 1.7907 4.3587 3.8280 1.7879
H10 3.0171 2.1805 1.1015 2.8264 3.0982 1.7914 3.1909 1.7879 3.8280 2.6286
H11 3.0171 2.1805 2.8264 1.1015 3.0982 3.1909 1.7914 3.8280 1.7879 2.6286
Maximum atom distance is 4.3587Å 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 108.208 Cl1 C2 C4 108.208
C3 C2 C4 114.371
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 56.115 C2 C3 H6 109.099
C2 C3 H8 111.257 C2 C3 H10 110.620
C2 C4 H7 109.099 C2 C4 H9 111.257
C2 C4 H11 110.620 C3 C2 H5 111.420
C4 C2 H5 111.420 H6 C3 H8 108.622
H6 C3 H10 108.586 H7 C4 H9 108.622
H7 C4 H11 108.586 H8 C3 H10 108.595
H9 C4 H11 108.595

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