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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

B3PW91/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.9127 1.0102 0.0000   1.3607 0.0000 -0.0457
C2 0.5862 -0.0533 0.0000   -0.4188 0.0000 0.4135
C3 0.5862 -0.9009 1.2705   -1.0665 1.2705 -0.1333
C4 0.5862 -0.9009 -1.2705   -1.0665 -1.2705 -0.1333
H5 1.4251 0.6478 0.0000   -0.4243 0.0000 1.5068
H6 1.4956 -1.5152 1.2962   -2.1225 1.2962 0.1653
H7 1.4956 -1.5152 -1.2962   -2.1225 -1.2962 0.1653
H8 0.5616 -0.2690 2.1634   -0.5678 2.1634 0.2556
H9 0.5616 -0.2690 -2.1634   -0.5678 -2.1634 0.2556
H10 -0.2872 -1.5616 1.2803   -1.0080 1.2803 -1.2268
H11 -0.2872 -1.5616 -1.2803   -1.0080 -1.2803 -1.2268
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.8378 2.7410 2.7410 2.3657 3.7226 3.7226 2.9138 2.9138 2.9402 2.9402
C2 1.8378 1.5273 1.5273 1.0933 2.1551 2.1551 2.1742 2.1742 2.1626 2.1626
C3 2.7410 1.5273 2.5410 2.1717 1.0977 2.7915 1.0941 3.4916 1.0951 2.7759
C4 2.7410 1.5273 2.5410 2.1717 2.7915 1.0977 3.4916 1.0941 2.7759 1.0951
H5 2.3657 1.0933 2.1717 2.1717 2.5226 2.5226 2.5033 2.5033 3.0745 3.0745
H6 3.7226 2.1551 1.0977 2.7915 2.5226 2.5924 1.7825 3.7939 1.7834 3.1334
H7 3.7226 2.1551 2.7915 1.0977 2.5226 2.5924 3.7939 1.7825 3.1334 1.7834
H8 2.9138 2.1742 1.0941 3.4916 2.5033 1.7825 3.7939 4.3267 1.7807 3.7749
H9 2.9138 2.1742 3.4916 1.0941 2.5033 3.7939 1.7825 4.3267 3.7749 1.7807
H10 2.9402 2.1626 1.0951 2.7759 3.0745 1.7834 3.1334 1.7807 3.7749 2.5605
H11 2.9402 2.1626 2.7759 1.0951 3.0745 3.1334 1.7834 3.7749 1.7807 2.5605
Maximum atom distance is 4.3267Å 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 108.733 Cl1 C2 C4 108.733
C3 C2 C4 112.579
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 56.142 C2 C3 H6 109.272
C2 C3 H8 110.996 C2 C3 H10 110.015
C2 C4 H7 109.272 C2 C4 H9 110.996
C2 C4 H11 110.015 C3 C2 H5 110.848
C4 C2 H5 110.848 H6 C3 H8 108.826
H6 C3 H10 108.835 H7 C4 H9 108.826
H7 C4 H11 108.835 H8 C3 H10 108.858
H9 C4 H11 108.858

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