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Geometry for CH2CHCH3 (Propene) 1A' CS

1910171554
InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3 INChIKey=QQONPFPTGQHPMA-UHFFFAOYSA-N

HSEh1PBE/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1379 -0.4960 0.0000   -1.2300 -0.1672 0.0000
C2 0.0000 0.4739 0.0000   0.1291 0.4559 0.0000
C3 1.2915 0.1408 0.0000   1.2810 -0.2164 0.0000
H4 1.6086 -0.9000 0.0000   1.3025 -1.3043 0.0000
H5 2.0733 0.8946 0.0000   2.2386 0.2958 0.0000
H6 -0.2679 1.5312 0.0000   0.1595 1.5462 0.0000
H7 -0.7816 -1.5305 0.0000   -1.1690 -1.2596 0.0000
H8 -1.7771 -0.3536 0.8796   -1.8062 0.1440 0.8796
H9 -1.7771 -0.3536 -0.8796   -1.8062 0.1440 -0.8796
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.4951 2.5114 2.7760 3.4993 2.2060 1.0941 1.0967 1.0967
C2 1.4951 1.3337 2.1155 2.1155 1.0907 2.1513 2.1486 2.1486
C3 2.5114 1.3337 1.0881 1.0860 2.0892 2.6628 3.2302 3.2302
H4 2.7760 2.1155 1.0881 1.8538 3.0712 2.4719 3.5405 3.5405
H5 3.4993 2.1155 1.0860 1.8538 2.4261 3.7458 4.1421 4.1421
H6 2.2060 1.0907 2.0892 3.0712 2.4261 3.1044 2.5698 2.5698
H7 1.0941 2.1513 2.6628 2.4719 3.7458 3.1044 1.7748 1.7748
H8 1.0967 2.1486 3.2302 3.5405 4.1421 2.5698 1.7748 1.7593
H9 1.0967 2.1486 3.2302 3.5405 4.1421 2.5698 1.7748 1.7593
Maximum atom distance is 4.1421Å between atoms H5 and H8.
picture of Propene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 125.095
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 116.227 C2 C1 H7 111.439
C2 C1 H8 111.062 C2 C1 H9 111.062
C2 C3 H4 121.407 C2 C3 H5 121.583
C3 C2 H6 118.679 H4 C3 H5 117.010
H7 C1 H8 108.215 H7 C1 H9 108.215
H8 C1 H9 106.664

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