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Geometry for CH3CHCH (1-propenyl radical) 2A' CS

1910171554
InChI=1S/C3H5/c1-3-2/h1,3H,2H3 INChIKey=ZLRGTQBGRLOXCT-UHFFFAOYSA-N

LSDA/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4471 0.0000   -0.2009 -0.3994 0.0000
C2 1.3030 0.3329 0.0000   -1.3136 0.2881 0.0000
C3 -0.9731 -0.6943 0.0000   1.1813 0.1830 0.0000
H4 -0.4629 1.4559 0.0000   -0.2407 -1.5087 0.0000
H5 2.1743 0.9887 0.0000   -2.3867 0.0937 0.0000
H6 -0.4379 -1.6573 0.0000   1.1359 1.2838 0.0000
H7 -1.6264 -0.6505 0.8916   1.7452 -0.1497 0.8916
H8 -1.6264 -0.6505 -0.8916   1.7452 -0.1497 -0.8916
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8
C1 1.3080 1.4999 1.1100 2.2407 2.1494 2.1551 2.1551
C2 1.3080 2.4972 2.0927 1.0905 2.6442 3.2160 3.2160
C3 1.4999 2.4972 2.2100 3.5691 1.1017 1.1061 1.1061
H4 1.1100 2.0927 2.2100 2.6782 3.1133 2.5662 2.5662
H5 2.2407 1.0905 3.5691 2.6782 3.7182 4.2339 4.2339
H6 2.1494 2.6442 1.1017 3.1133 3.7182 1.7947 1.7947
H7 2.1551 3.2160 1.1061 2.5662 4.2339 1.7947 1.7831
H8 2.1551 3.2160 1.1061 2.5662 4.2339 1.7947 1.7831
Maximum atom distance is 4.2339Å between atoms H5 and H7.
picture of 1-propenyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 C3 125.443
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 138.024 C1 C3 H6 110.487
C1 C3 H7 110.668 C1 C3 H8 110.668
C2 C1 H4 119.652 C3 C1 H4 114.906
H6 C3 H7 108.758 H6 C3 H8 108.758
H7 C3 H8 107.417

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