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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

wB97X-D/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.8899 1.0248 0.0000   1.3565 0.0000 -0.0450
C2 0.5694 -0.0724 0.0000   -0.4150 0.0000 0.3965
C3 0.5694 -0.9059 1.2693   -1.0622 1.2693 -0.1289
C4 0.5694 -0.9059 -1.2693   -1.0622 -1.2693 -0.1289
H5 1.4231 0.6200 0.0000   -0.4155 0.0000 1.4956
H6 1.4763 -1.5312 1.2949   -2.1193 1.2949 0.1812
H7 1.4763 -1.5312 -1.2949   -2.1193 -1.2949 0.1812
H8 0.5610 -0.2698 2.1649   -0.5630 2.1649 0.2655
H9 0.5610 -0.2698 -2.1649   -0.5630 -2.1649 0.2655
H10 -0.3094 -1.5675 1.3011   -1.0220 1.3011 -1.2281
H11 -0.3094 -1.5675 -1.3011   -1.0220 -1.3011 -1.2281
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.8257 2.7328 2.7328 2.3481 3.7160 3.7160 2.9099 2.9099 2.9580 2.9580
C2 1.8257 1.5185 1.5185 1.0992 2.1512 2.1512 2.1739 2.1739 2.1681 2.1681
C3 2.7328 1.5185 2.5386 2.1606 1.1020 2.7908 1.0985 3.4927 1.1005 2.7959
C4 2.7328 1.5185 2.5386 2.1606 2.7908 1.1020 3.4927 1.0985 2.7959 1.1005
H5 2.3481 1.0992 2.1606 2.1606 2.5114 2.5114 2.4944 2.4944 3.0789 3.0789
H6 3.7160 2.1512 1.1020 2.7908 2.5114 2.5898 1.7850 3.7946 1.7862 3.1511
H7 3.7160 2.1512 2.7908 1.1020 2.5114 2.5898 3.7946 1.7850 3.1511 1.7862
H8 2.9099 2.1739 1.0985 3.4927 2.4944 1.7850 3.7946 4.3298 1.7854 3.8020
H9 2.9099 2.1739 3.4927 1.0985 2.4944 3.7946 1.7850 4.3298 3.8020 1.7854
H10 2.9580 2.1681 1.1005 2.7959 3.0789 1.7862 3.1511 1.7854 3.8020 2.6023
H11 2.9580 2.1681 2.7959 1.1005 3.0789 3.1511 1.7862 3.8020 1.7854 2.6023
Maximum atom distance is 4.3298Å 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 109.260 Cl1 C2 C4 109.260
C3 C2 C4 113.417
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 55.888 C2 C3 H6 109.322
C2 C3 H8 111.324 C2 C3 H10 110.742
C2 C4 H7 109.322 C2 C4 H9 111.324
C2 C4 H11 110.742 C3 C2 H5 110.227
C4 C2 H5 110.227 H6 C3 H8 108.420
H6 C3 H10 108.386 H7 C4 H9 108.420
H7 C4 H11 108.386 H8 C3 H10 108.569
H9 C4 H11 108.569

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