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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

QCISD/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.9790 1.0094 0.0000   -0.6174 -0.7598 1.0094
C2 0.6328 -0.0617 0.0000   0.3991 0.4911 -0.0617
C3 0.6328 -0.9008 1.2867   1.3976 -0.3203 -0.9008
C4 0.6328 -0.9008 -1.2867   -0.5995 1.3025 -0.9008
H5 1.4286 0.6878 0.0000   0.9009 1.1087 0.6878
H6 1.5580 -1.4966 1.3264   2.0119 0.3726 -1.4966
H7 1.5580 -1.4966 -1.3264   -0.0469 2.0456 -1.4966
H8 0.5842 -0.2573 2.1738   2.0555 -0.9174 -0.2573
H9 0.5842 -0.2573 -2.1738   -1.3186 1.8242 -0.2573
H10 -0.2298 -1.5800 1.2910   0.8570 -0.9925 -1.5800
H11 -0.2298 -1.5800 -1.2910   -1.1468 0.6358 -1.5800
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.9352 2.8111 2.8111 2.4290 3.8047 3.8047 2.9620 2.9620 2.9888 2.9888
C2 1.9352 1.5361 1.5361 1.0931 2.1620 2.1620 2.1831 2.1831 2.1717 2.1717
C3 2.8111 1.5361 2.5734 2.1937 1.1011 2.8354 1.0970 3.5201 1.0979 2.8018
C4 2.8111 1.5361 2.5734 2.1937 2.8354 1.1011 3.5201 1.0970 2.8018 1.0979
H5 2.4290 1.0931 2.1937 2.1937 2.5589 2.5589 2.5162 2.5162 3.0919 3.0919
H6 3.8047 2.1620 1.1011 2.8354 2.5589 2.6529 1.7894 3.8387 1.7900 3.1708
H7 3.8047 2.1620 2.8354 1.1011 2.5589 2.6529 3.8387 1.7894 3.1708 1.7900
H8 2.9620 2.1831 1.0970 3.5201 2.5162 1.7894 3.8387 4.3476 1.7865 3.7970
H9 2.9620 2.1831 3.5201 1.0970 2.5162 3.8387 1.7894 4.3476 3.7970 1.7865
H10 2.9888 2.1717 1.0979 2.8018 3.0919 1.7900 3.1708 1.7865 3.7970 2.5820
H11 2.9888 2.1717 2.8018 1.0979 3.0919 3.1708 1.7900 3.7970 1.7865 2.5820
Maximum atom distance is 4.3476Å 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 107.597 Cl1 C2 C4 107.597
C3 C2 C4 113.778
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 56.459 C2 C3 H6 109.014
C2 C3 H8 110.910 C2 C3 H10 109.952
C2 C4 H7 109.014 C2 C4 H9 110.910
C2 C4 H11 109.952 C3 C2 H5 111.995
C4 C2 H5 111.995 H6 C3 H8 108.992
H6 C3 H10 108.981 H7 C4 H9 108.992
H7 C4 H11 108.981 H8 C3 H10 108.960
H9 C4 H11 108.960

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