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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

MP2=FULL/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.8997 1.0085 0.0000   1.3508 0.0000 -0.0454
C2 0.5771 -0.0586 0.0000   -0.4146 0.0000 0.4058
C3 0.5771 -0.8970 1.2699   -1.0585 1.2699 -0.1311
C4 0.5771 -0.8970 -1.2699   -1.0585 -1.2699 -0.1311
H5 1.4222 0.6443 0.0000   -0.4158 0.0000 1.5050
H6 1.4856 -1.5201 1.2974   -2.1189 1.2974 0.1678
H7 1.4856 -1.5201 -1.2974   -2.1189 -1.2974 0.1678
H8 0.5604 -0.2605 2.1650   -0.5589 2.1650 0.2636
H9 0.5604 -0.2605 -2.1650   -0.5589 -2.1650 0.2636
H10 -0.3035 -1.5559 1.2903   -1.0008 1.2903 -1.2294
H11 -0.3035 -1.5559 -1.2903   -1.0008 -1.2903 -1.2294
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.8220 2.7248 2.7248 2.3504 3.7104 3.7104 2.9034 2.9034 2.9320 2.9320
C2 1.8220 1.5217 1.5217 1.0992 2.1551 2.1551 2.1745 2.1745 2.1639 2.1639
C3 2.7248 1.5217 2.5398 2.1685 1.1020 2.7937 1.0984 3.4934 1.1000 2.7865
C4 2.7248 1.5217 2.5398 2.1685 2.7937 1.1020 3.4934 1.0984 2.7865 1.1000
H5 2.3504 1.0992 2.1685 2.1685 2.5243 2.5243 2.4998 2.4998 3.0796 3.0796
H6 3.7104 2.1551 1.1020 2.7937 2.5243 2.5947 1.7876 3.7988 1.7894 3.1461
H7 3.7104 2.1551 2.7937 1.1020 2.5243 2.5947 3.7988 1.7876 3.1461 1.7894
H8 2.9034 2.1745 1.0984 3.4934 2.4998 1.7876 3.7988 4.3300 1.7859 3.7899
H9 2.9034 2.1745 3.4934 1.0984 2.4998 3.7988 1.7876 4.3300 3.7899 1.7859
H10 2.9320 2.1639 1.1000 2.7865 3.0796 1.7894 3.1461 1.7859 3.7899 2.5807
H11 2.9320 2.1639 2.7865 1.1000 3.0796 3.1461 1.7894 3.7899 1.7859 2.5807
Maximum atom distance is 4.3300Å 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 108.824 Cl1 C2 C4 108.824
C3 C2 C4 113.134
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 56.031 C2 C3 H6 109.410
C2 C3 H8 111.148 C2 C3 H10 110.214
C2 C4 H7 109.410 C2 C4 H9 111.148
C2 C4 H11 110.214 C3 C2 H5 110.629
C4 C2 H5 110.629 H6 C3 H8 108.659
H6 C3 H10 108.710 H7 C4 H9 108.659
H7 C4 H11 108.710 H8 C3 H10 108.647
H9 C4 H11 108.647

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