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Geometry for CH2CHCH3 (Propene) 1A' CS

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

B3LYP/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1338 -0.5053 0.0000   1.2295 0.1710 0.0000
C2 0.0000 0.4721 0.0000   -0.1310 -0.4536 0.0000
C3 1.2875 0.1523 0.0000   -1.2792 0.2108 0.0000
H4 1.6151 -0.8808 0.0000   -1.3074 1.2942 0.0000
H5 2.0598 0.9098 0.0000   -2.2313 -0.3027 0.0000
H6 -0.2772 1.5225 0.0000   -0.1560 -1.5397 0.0000
H7 -0.7744 -1.5345 0.0000   1.1697 1.2595 0.0000
H8 -1.7727 -0.3660 0.8762   1.8046 -0.1401 0.8762
H9 -1.7727 -0.3660 -0.8762   1.8046 -0.1401 -0.8762
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.4970 2.5090 2.7745 3.4931 2.2013 1.0902 1.0933 1.0933
C2 1.4970 1.3266 2.1069 2.1058 1.0864 2.1509 2.1477 2.1477
C3 2.5090 1.3266 1.0838 1.0817 2.0798 2.6640 3.2250 3.2250
H4 2.7745 2.1069 1.0838 1.8449 3.0589 2.4773 3.5369 3.5369
H5 3.4931 2.1058 1.0817 1.8449 2.4160 3.7426 4.1331 4.1331
H6 2.2013 1.0864 2.0798 3.0589 2.4160 3.0972 2.5633 2.5633
H7 1.0902 2.1509 2.6640 2.4773 3.7426 3.0972 1.7691 1.7691
H8 1.0933 2.1477 3.2250 3.5369 4.1331 2.5633 1.7691 1.7524
H9 1.0933 2.1477 3.2250 3.5369 4.1331 2.5633 1.7691 1.7524
Maximum atom distance is 4.1331Å 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 125.289
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 115.980 C2 C1 H7 111.513
C2 C1 H8 111.062 C2 C1 H9 111.062
C2 C3 H4 121.543 C2 C3 H5 121.609
C3 C2 H6 118.731 H4 C3 H5 116.848
H7 C1 H8 108.237 H7 C1 H9 108.237
H8 C1 H9 106.539

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