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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

CCD/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.9087 1.0179 0.0000   -0.5729 -0.7054 1.0179
C2 0.5834 -0.0524 0.0000   0.3678 0.4529 -0.0524
C3 0.5834 -0.9085 1.2821   1.3631 -0.3554 -0.9085
C4 0.5834 -0.9085 -1.2821   -0.6274 1.2612 -0.9085
H5 1.4318 0.6393 0.0000   0.9027 1.1114 0.6393
H6 1.4909 -1.5296 1.3035   1.9518 0.3355 -1.5296
H7 1.4909 -1.5296 -1.3035   -0.0719 1.9791 -1.5296
H8 0.5645 -0.2717 2.1750   2.0442 -0.9330 -0.2717
H9 0.5645 -0.2717 -2.1750   -1.3324 1.8094 -0.2717
H10 -0.2981 -1.5625 1.2926   0.8155 -1.0463 -1.5625
H11 -0.2981 -1.5625 -1.2926   -1.1913 0.5835 -1.5625
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.8363 2.7534 2.7534 2.3710 3.7346 3.7346 2.9265 2.9265 2.9500 2.9500
C2 1.8363 1.5417 1.5417 1.0946 2.1691 2.1691 2.1861 2.1861 2.1745 2.1745
C3 2.7534 1.5417 2.5643 2.1816 1.0999 2.8098 1.0969 3.5154 1.0977 2.7990
C4 2.7534 1.5417 2.5643 2.1816 2.8098 1.0999 3.5154 1.0969 2.7990 1.0977
H5 2.3710 1.0946 2.1816 2.1816 2.5312 2.5312 2.5125 2.5125 3.0841 3.0841
H6 3.7346 2.1691 1.0999 2.8098 2.5312 2.6071 1.7889 3.8133 1.7893 3.1530
H7 3.7346 2.1691 2.8098 1.0999 2.5312 2.6071 3.8133 1.7889 3.1530 1.7893
H8 2.9265 2.1861 1.0969 3.5154 2.5125 1.7889 3.8133 4.3500 1.7858 3.7993
H9 2.9265 2.1861 3.5154 1.0969 2.5125 3.8133 1.7889 4.3500 3.7993 1.7858
H10 2.9500 2.1745 1.0977 2.7990 3.0841 1.7893 3.1530 1.7858 3.7993 2.5852
H11 2.9500 2.1745 2.7990 1.0977 3.0841 3.1530 1.7893 3.7993 1.7858 2.5852
Maximum atom distance is 4.3500Å 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 108.884 Cl1 C2 C4 108.884
C3 C2 C4 112.535
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 55.993 C2 C3 H6 109.254
C2 C3 H8 110.767 C2 C3 H10 109.804
C2 C4 H7 109.254 C2 C4 H9 110.767
C2 C4 H11 109.804 C3 C2 H5 110.543
C4 C2 H5 110.543 H6 C3 H8 109.040
H6 C3 H10 109.025 H7 C4 H9 109.040
H7 C4 H11 109.025 H8 C3 H10 108.922
H9 C4 H11 108.922

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