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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/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1440 -0.5080 0.0000   -1.2405 -0.1676 0.0000
C2 0.0000 0.4754 0.0000   0.1330 0.4564 0.0000
C3 1.3002 0.1535 0.0000   1.2912 -0.2164 0.0000
H4 1.6340 -0.8877 0.0000   1.3204 -1.3095 0.0000
H5 2.0838 0.9135 0.0000   2.2561 0.2939 0.0000
H6 -0.2856 1.5342 0.0000   0.1551 1.5528 0.0000
H7 -0.7854 -1.5487 0.0000   -1.1874 -1.2671 0.0000
H8 -1.7919 -0.3684 0.8835   -1.8234 0.1477 0.8835
H9 -1.7919 -0.3684 -0.8835   -1.8234 0.1477 -0.8835
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5086 2.5322 2.8039 3.5269 2.2152 1.1008 1.1045 1.1045
C2 1.5086 1.3395 2.1280 2.1293 1.0966 2.1711 2.1688 2.1688
C3 2.5322 1.3395 1.0935 1.0915 2.1026 2.6921 3.2580 3.2580
H4 2.8039 2.1280 1.0935 1.8565 3.0904 2.5081 3.5760 3.5760
H5 3.5269 2.1293 1.0915 1.8565 2.4493 3.7808 4.1767 4.1767
H6 2.2152 1.0966 2.1026 3.0904 2.4493 3.1231 2.5825 2.5825
H7 1.1008 2.1711 2.6921 2.5081 3.7808 3.1231 1.7852 1.7852
H8 1.1045 2.1688 3.2580 3.5760 4.1767 2.5825 1.7852 1.7671
H9 1.1045 2.1688 3.2580 3.5760 4.1767 2.5825 1.7852 1.7671
Maximum atom distance is 4.1767Å 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 125.415
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 115.584 C2 C1 H7 111.666
C2 C1 H8 111.252 C2 C1 H9 111.252
C2 C3 H4 121.680 C2 C3 H5 121.972
C3 C2 H6 119.001 H4 C3 H5 116.347
H7 C1 H8 108.095 H7 C1 H9 108.095
H8 C1 H9 106.251

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