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Geometry for CH2CHCH3 (Propene) 1A' CS

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

CISD/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1484 -0.5052 0.0000   1.2452 0.1535 0.0000
C2 0.0000 0.4817 0.0000   -0.1386 -0.4613 0.0000
C3 1.3008 0.1468 0.0000   -1.2880 0.2336 0.0000
H4 1.6259 -0.8926 0.0000   -1.3004 1.3225 0.0000
H5 2.0873 0.8968 0.0000   -2.2570 -0.2585 0.0000
H6 -0.2786 1.5369 0.0000   -0.1752 -1.5520 0.0000
H7 -0.7771 -1.5377 0.0000   1.1866 1.2491 0.0000
H8 -1.7858 -0.3714 0.8849   1.8171 -0.1580 0.8849
H9 -1.7858 -0.3714 -0.8849   1.8171 -0.1580 -0.8849
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5142 2.5345 2.8012 3.5264 2.2196 1.0972 1.0987 1.0987
C2 1.5142 1.3432 2.1288 2.1282 1.0914 2.1637 2.1678 2.1678
C3 2.5345 1.3432 1.0890 1.0868 2.1040 2.6749 3.2524 3.2524
H4 2.8012 2.1288 1.0890 1.8479 3.0869 2.4881 3.5628 3.5628
H5 3.5264 2.1282 1.0868 1.8479 2.4510 3.7592 4.1703 4.1703
H6 2.2196 1.0914 2.1040 3.0869 2.4510 3.1147 2.5876 2.5876
H7 1.0972 2.1637 2.6749 2.4881 3.7592 3.1147 1.7778 1.7778
H8 1.0987 2.1678 3.2524 3.5628 4.1703 2.5876 1.7778 1.7697
H9 1.0987 2.1678 3.2524 3.5628 4.1703 2.5876 1.7778 1.7697
Maximum atom distance is 4.1703Å 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 124.890
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 115.880 C2 C1 H7 110.893
C2 C1 H8 111.135 C2 C1 H9 111.135
C2 C3 H4 121.806 C2 C3 H5 121.920
C3 C2 H6 119.229 H4 C3 H5 116.274
H7 C1 H8 108.116 H7 C1 H9 108.116
H8 C1 H9 107.297

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