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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

B3LYP/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.9212 1.0151 0.0000   1.3700 0.0000 -0.0453
C2 0.5919 -0.0582 0.0000   -0.4274 0.0000 0.4136
C3 0.5919 -0.9042 1.2764   -1.0724 1.2764 -0.1339
C4 0.5919 -0.9042 -1.2764   -1.0724 -1.2764 -0.1339
H5 1.4245 0.6476 0.0000   -0.4282 0.0000 1.5051
H6 1.5031 -1.5145 1.3046   -2.1273 1.3046 0.1658
H7 1.5031 -1.5145 -1.3046   -2.1273 -1.3046 0.1658
H8 0.5649 -0.2699 2.1663   -0.5714 2.1663 0.2560
H9 0.5649 -0.2699 -2.1663   -0.5714 -2.1663 0.2560
H10 -0.2781 -1.5675 1.2881   -1.0150 1.2881 -1.2264
H11 -0.2781 -1.5675 -1.2881   -1.0150 -1.2881 -1.2264
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.8551 2.7572 2.7572 2.3743 3.7386 3.7386 2.9245 2.9245 2.9568 2.9568
C2 1.8551 1.5314 1.5314 1.0915 2.1571 2.1571 2.1768 2.1768 2.1666 2.1666
C3 2.7572 1.5314 2.5529 2.1750 1.0970 2.8043 1.0931 3.5008 1.0941 2.7881
C4 2.7572 1.5314 2.5529 2.1750 2.8043 1.0970 3.5008 1.0931 2.7881 1.0941
H5 2.3743 1.0915 2.1750 2.1750 2.5264 2.5264 2.5047 2.5047 3.0765 3.0765
H6 3.7386 2.1571 1.0970 2.8043 2.5264 2.6092 1.7809 3.8047 1.7821 3.1460
H7 3.7386 2.1571 2.8043 1.0970 2.5264 2.6092 3.8047 1.7809 3.1460 1.7821
H8 2.9245 2.1768 1.0931 3.5008 2.5047 1.7809 3.8047 4.3326 1.7792 3.7851
H9 2.9245 2.1768 3.5008 1.0931 2.5047 3.8047 1.7809 4.3326 3.7851 1.7792
H10 2.9568 2.1666 1.0941 2.7881 3.0765 1.7821 3.1460 1.7792 3.7851 2.5761
H11 2.9568 2.1666 2.7881 1.0941 3.0765 3.1460 1.7821 3.7851 1.7792 2.5761
Maximum atom distance is 4.3326Å 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 108.641 Cl1 C2 C4 108.641
C3 C2 C4 112.925
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 56.064 C2 C3 H6 109.191
C2 C3 H8 110.975 C2 C3 H10 110.109
C2 C4 H7 109.191 C2 C4 H9 110.975
C2 C4 H11 110.109 C3 C2 H5 110.931
C4 C2 H5 110.931 H6 C3 H8 108.809
H6 C3 H10 108.843 H7 C4 H9 108.809
H7 C4 H11 108.843 H8 C3 H10 108.874
H9 C4 H11 108.874

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