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Geometry for CH2CHCH3 (Propene) 1A' CS

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

B3PW91/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1350 -0.5016 0.0000   -1.2297 -0.1665 0.0000
C2 0.0000 0.4728 0.0000   0.1314 0.4542 0.0000
C3 1.2890 0.1484 0.0000   1.2795 -0.2157 0.0000
H4 1.6145 -0.8891 0.0000   1.3038 -1.3028 0.0000
H5 2.0687 0.9036 0.0000   2.2383 0.2931 0.0000
H6 -0.2777 1.5270 0.0000   0.1576 1.5441 0.0000
H7 -0.7764 -1.5351 0.0000   -1.1724 -1.2589 0.0000
H8 -1.7767 -0.3620 0.8788   -1.8073 0.1460 0.8788
H9 -1.7767 -0.3620 -0.8788   -1.8073 0.1460 -0.8788
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.4959 2.5097 2.7767 3.4983 2.2024 1.0939 1.0971 1.0971
C2 1.4959 1.3292 2.1123 2.1131 1.0902 2.1528 2.1508 2.1508
C3 2.5097 1.3292 1.0874 1.0855 2.0869 2.6646 3.2298 3.2298
H4 2.7767 2.1123 1.0874 1.8494 3.0690 2.4767 3.5427 3.5427
H5 3.4983 2.1131 1.0855 1.8494 2.4278 3.7472 4.1426 4.1426
H6 2.2024 1.0902 2.0869 3.0690 2.4278 3.1025 2.5666 2.5666
H7 1.0939 2.1528 2.6646 2.4767 3.7472 3.1025 1.7745 1.7745
H8 1.0971 2.1508 3.2298 3.5427 4.1426 2.5666 1.7745 1.7576
H9 1.0971 2.1508 3.2298 3.5427 4.1426 2.5666 1.7745 1.7576
Maximum atom distance is 4.1426Å 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 125.224
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 115.890 C2 C1 H7 111.513
C2 C1 H8 111.154 C2 C1 H9 111.154
C2 C3 H4 121.546 C2 C3 H5 121.787
C3 C2 H6 118.886 H4 C3 H5 116.667
H7 C1 H8 108.179 H7 C1 H9 108.179
H8 C1 H9 106.459

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