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Geometry for CH2CHCH3 (Propene) 1A' CS

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

PBEPBE/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1413 -0.4990 0.0000   -1.2343 -0.1679 0.0000
C2 0.0000 0.4745 0.0000   0.1297 0.4564 0.0000
C3 1.2971 0.1444 0.0000   1.2871 -0.2158 0.0000
H4 1.6207 -0.9017 0.0000   1.3123 -1.3105 0.0000
H5 2.0858 0.9007 0.0000   2.2526 0.2960 0.0000
H6 -0.2776 1.5368 0.0000   0.1532 1.5541 0.0000
H7 -0.7852 -1.5413 0.0000   -1.1768 -1.2678 0.0000
H8 -1.7892 -0.3568 0.8835   -1.8185 0.1461 0.8835
H9 -1.7892 -0.3568 -0.8835   -1.8185 0.1461 -0.8835
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5001 2.5219 2.7912 3.5176 2.2114 1.1014 1.1048 1.1048
C2 1.5001 1.3384 2.1261 2.1289 1.0979 2.1633 2.1617 2.1617
C3 2.5219 1.3384 1.0949 1.0927 2.1020 2.6791 3.2491 3.2491
H4 2.7912 2.1261 1.0949 1.8614 3.0902 2.4895 3.5643 3.5643
H5 3.5176 2.1289 1.0927 1.8614 2.4475 3.7691 4.1686 4.1686
H6 2.2114 1.0979 2.1020 3.0902 2.4475 3.1196 2.5789 2.5789
H7 1.1014 2.1633 2.6791 2.4895 3.7691 3.1196 1.7865 1.7865
H8 1.1048 2.1617 3.2491 3.5643 4.1686 2.5789 1.7865 1.7671
H9 1.1048 2.1617 3.2491 3.5643 4.1686 2.5789 1.7865 1.7671
Maximum atom distance is 4.1686Å 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 125.258
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 115.819 C2 C1 H7 111.602
C2 C1 H8 111.259 C2 C1 H9 111.259
C2 C3 H4 121.467 C2 C3 H5 121.921
C3 C2 H6 118.923 H4 C3 H5 116.612
H7 C1 H8 108.144 H7 C1 H9 108.144
H8 C1 H9 106.209

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