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Geometry for CH2CHCH3 (Propene) 1A' CS

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

BLYP/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1473 -0.5150 0.0000   -1.2461 -0.1691 0.0000
C2 0.0000 0.4830 0.0000   0.1368 0.4633 0.0000
C3 1.3012 0.1549 0.0000   1.2918 -0.2198 0.0000
H4 1.6288 -0.8889 0.0000   1.3104 -1.3137 0.0000
H5 2.0881 0.9129 0.0000   2.2611 0.2843 0.0000
H6 -0.2907 1.5406 0.0000   0.1574 1.5599 0.0000
H7 -0.7707 -1.5506 0.0000   -1.1782 -1.2689 0.0000
H8 -1.7895 -0.3759 0.8893   -1.8227 0.1461 0.8893
H9 -1.7895 -0.3759 -0.8893   -1.8227 0.1461 -0.8893
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5206 2.5384 2.8011 3.5364 2.2269 1.1020 1.1057 1.1057
C2 1.5206 1.3419 2.1296 2.1319 1.0968 2.1748 2.1751 2.1751
C3 2.5384 1.3419 1.0941 1.0926 2.1105 2.6836 3.2596 3.2596
H4 2.8011 2.1296 1.0941 1.8594 3.0963 2.4891 3.5691 3.5691
H5 3.5364 2.1319 1.0926 1.8594 2.4602 3.7738 4.1818 4.1818
H6 2.2269 1.0968 2.1105 3.0963 2.4602 3.1282 2.5904 2.5904
H7 1.1020 2.1748 2.6836 2.4891 3.7738 3.1282 1.7912 1.7912
H8 1.1057 2.1751 3.2596 3.5691 4.1818 2.5904 1.7912 1.7786
H9 1.1057 2.1751 3.2596 3.5691 4.1818 2.5904 1.7912 1.7786
Maximum atom distance is 4.1818Å 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 124.828
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 115.649 C2 C1 H7 111.039
C2 C1 H8 110.835 C2 C1 H9 110.835
C2 C3 H4 121.576 C2 C3 H5 121.923
C3 C2 H6 119.523 H4 C3 H5 116.501
H7 C1 H8 108.459 H7 C1 H9 108.459
H8 C1 H9 107.081

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