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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

B1B95/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.8864 1.0161 0.0000   1.3477 0.0000 -0.0450
C2 0.5675 -0.0674 0.0000   -0.4108 0.0000 0.3973
C3 0.5675 -0.8996 1.2645   -1.0558 1.2645 -0.1286
C4 0.5675 -0.8996 -1.2645   -1.0558 -1.2645 -0.1286
H5 1.4164 0.6180 0.0000   -0.4160 0.0000 1.4883
H6 1.4672 -1.5218 1.2914   -2.1066 1.2914 0.1756
H7 1.4672 -1.5218 -1.2914   -2.1066 -1.2914 0.1756
H8 0.5574 -0.2692 2.1546   -0.5609 2.1546 0.2619
H9 0.5574 -0.2692 -2.1546   -0.5609 -2.1546 0.2619
H10 -0.3055 -1.5552 1.2944   -1.0124 1.2944 -1.2195
H11 -0.3055 -1.5552 -1.2944   -1.0124 -1.2944 -1.2195
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.8132 2.7172 2.7172 2.3370 3.6943 3.6943 2.8947 2.8947 2.9368 2.9368
C2 1.8132 1.5138 1.5138 1.0910 2.1430 2.1430 2.1641 2.1641 2.1567 2.1567
C3 2.7172 1.5138 2.5291 2.1501 1.0942 2.7802 1.0908 3.4768 1.0922 2.7821
C4 2.7172 1.5138 2.5291 2.1501 2.7802 1.0942 3.4768 1.0908 2.7821 1.0922
H5 2.3370 1.0910 2.1501 2.1501 2.4998 2.4998 2.4834 2.4834 3.0600 3.0600
H6 3.6943 2.1430 1.0942 2.7802 2.4998 2.5828 1.7725 3.7778 1.7730 3.1353
H7 3.6943 2.1430 2.7802 1.0942 2.4998 2.5828 3.7778 1.7725 3.1353 1.7730
H8 2.8947 2.1641 1.0908 3.4768 2.4834 1.7725 3.7778 4.3093 1.7715 3.7808
H9 2.8947 2.1641 3.4768 1.0908 2.4834 3.7778 1.7725 4.3093 3.7808 1.7715
H10 2.9368 2.1567 1.0922 2.7821 3.0600 1.7730 3.1353 1.7715 3.7808 2.5888
H11 2.9368 2.1567 2.7821 1.0922 3.0600 3.1353 1.7730 3.7808 1.7715 2.5888
Maximum atom distance is 4.3093Å 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 109.179 Cl1 C2 C4 109.179
C3 C2 C4 113.298
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 55.938 C2 C3 H6 109.459
C2 C3 H8 111.341 C2 C3 H10 110.663
C2 C4 H7 109.459 C2 C4 H9 111.341
C2 C4 H11 110.663 C3 C2 H5 110.202
C4 C2 H5 110.202 H6 C3 H8 108.433
H6 C3 H10 108.375 H7 C4 H9 108.433
H7 C4 H11 108.375 H8 C3 H10 108.493
H9 C4 H11 108.493

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