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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/Def2TZVPP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.8834 1.0058 0.0000   1.3379 0.0000 -0.0456
C2 0.5664 -0.0558 0.0000   -0.4022 0.0000 0.4026
C3 0.5664 -0.8946 1.2604   -1.0509 1.2604 -0.1291
C4 0.5664 -0.8946 -1.2604   -1.0509 -1.2604 -0.1291
H5 1.4132 0.6267 0.0000   -0.4112 0.0000 1.4903
H6 1.4604 -1.5182 1.2833   -2.1000 1.2833 0.1670
H7 1.4604 -1.5182 -1.2833   -2.1000 -1.2833 0.1670
H8 0.5542 -0.2679 2.1484   -0.5585 2.1484 0.2588
H9 0.5542 -0.2679 -2.1484   -0.5585 -2.1484 0.2588
H10 -0.3093 -1.5411 1.2797   -0.9957 1.2797 -1.2162
H11 -0.3093 -1.5411 -1.2797   -0.9957 -1.2797 -1.2162
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.7969 2.7022 2.7022 2.3277 3.6757 3.6757 2.8818 2.8818 2.9075 2.9075
C2 1.7969 1.5140 1.5140 1.0877 2.1412 2.1412 2.1589 2.1589 2.1472 2.1472
C3 2.7022 1.5140 2.5208 2.1495 1.0903 2.7674 1.0870 3.4660 1.0886 2.7635
C4 2.7022 1.5140 2.5208 2.1495 2.7674 1.0903 3.4660 1.0870 2.7635 1.0886
H5 2.3277 1.0877 2.1495 2.1495 2.5000 2.5000 2.4807 2.4807 3.0503 3.0503
H6 3.6757 2.1412 1.0903 2.7674 2.5000 2.5666 1.7700 3.7631 1.7699 3.1147
H7 3.6757 2.1412 2.7674 1.0903 2.5000 2.5666 3.7631 1.7700 3.1147 1.7699
H8 2.8818 2.1589 1.0870 3.4660 2.4807 1.7700 3.7631 4.2969 1.7668 3.7575
H9 2.8818 2.1589 3.4660 1.0870 2.4807 3.7631 1.7700 4.2969 3.7575 1.7668
H10 2.9075 2.1472 1.0886 2.7635 3.0503 1.7699 3.1147 1.7668 3.7575 2.5593
H11 2.9075 2.1472 2.7635 1.0886 3.0503 3.1147 1.7699 3.7575 1.7668 2.5593
Maximum atom distance is 4.2969Å 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 109.105 Cl1 C2 C4 109.105
C3 C2 C4 112.713
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 55.953 C2 C3 H6 109.533
C2 C3 H8 111.145 C2 C3 H10 110.105
C2 C4 H7 109.533 C2 C4 H9 111.145
C2 C4 H11 110.105 C3 C2 H5 110.345
C4 C2 H5 110.345 H6 C3 H8 108.769
H6 C3 H10 108.638 H7 C4 H9 108.769
H7 C4 H11 108.638 H8 C3 H10 108.598
H9 C4 H11 108.598

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