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Geometry for CH2CHCH3 (Propene) 1A' CS

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

G3
This model chemistry uses a geometry from MP2=FULL/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1396 -0.4922 0.0000   1.2278 0.1828 0.0000
C2 0.0000 0.4795 0.0000   -0.1232 -0.4633 0.0000
C3 1.2912 0.1335 0.0000   -1.2822 0.2028 0.0000
H4 1.5993 -0.9081 0.0000   -1.3122 1.2886 0.0000
H5 2.0805 0.8774 0.0000   -2.2361 -0.3133 0.0000
H6 -0.2627 1.5366 0.0000   -0.1410 -1.5525 0.0000
H7 -0.7752 -1.5227 0.0000   1.1404 1.2724 0.0000
H8 -1.7757 -0.3539 0.8804   1.8070 -0.1143 0.8804
H9 -1.7757 -0.3539 -0.8804   1.8070 -0.1143 -0.8804
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.4976 2.5101 2.7703 3.4992 2.2102 1.0931 1.0949 1.0949
C2 1.4976 1.3367 2.1173 2.1182 1.0893 2.1470 2.1501 2.1501
C3 2.5101 1.3367 1.0863 1.0846 2.0936 2.6482 3.2278 3.2278
H4 2.7703 2.1173 1.0863 1.8493 3.0730 2.4527 3.5317 3.5317
H5 3.4992 2.1182 1.0846 1.8493 2.4341 3.7303 4.1426 4.1426
H6 2.2102 1.0893 2.0936 3.0730 2.4341 3.1019 2.5765 2.5765
H7 1.0931 2.1470 2.6482 2.4527 3.7303 3.1019 1.7726 1.7726
H8 1.0949 2.1501 3.2278 3.5317 4.1426 2.5765 1.7726 1.7608
H9 1.0949 2.1501 3.2278 3.5317 4.1426 2.5765 1.7726 1.7608
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 125.238
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 115.866 C2 C1 H7 111.435
C2 C1 H8 110.898 C2 C1 H9 110.898
C2 C3 H4 121.862 C2 C3 H5 121.639
C3 C2 H6 118.895 H4 C3 H5 116.499
H7 C1 H8 108.210 H7 C1 H9 108.210
H8 C1 H9 107.027

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