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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

MP3/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4467 0.0000   0.2102 0.3941 0.0000
C2 1.2907 0.3527 0.0000   1.3048 -0.2963 0.0000
C3 -0.9626 -0.7117 0.0000   -1.1843 -0.1749 0.0000
H4 -0.4506 1.4454 0.0000   0.2827 1.4873 0.0000
H5 2.1253 1.0409 0.0000   2.3651 -0.0819 0.0000
H6 -0.4243 -1.6618 0.0000   -1.1565 -1.2665 0.0000
H7 -1.6095 -0.6752 0.8829   -1.7379 0.1618 0.8829
H8 -1.6095 -0.6752 -0.8829   -1.7379 0.1618 -0.8829
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8
C1 1.2941 1.5062 1.0956 2.2068 2.1508 2.1514 2.1514
C2 1.2941 2.4920 2.0557 1.0817 2.6456 3.2011 3.2011
C3 1.5062 2.4920 2.2170 3.5506 1.0920 1.0951 1.0951
H4 1.0956 2.0557 2.2170 2.6074 3.1073 2.5728 2.5728
H5 2.2068 1.0817 3.5506 2.6074 3.7155 4.2039 4.2039
H6 2.1508 2.6456 1.0920 3.1073 3.7155 1.7769 1.7769
H7 2.1514 3.2011 1.0951 2.5728 4.2039 1.7769 1.7658
H8 2.1514 3.2011 1.0951 2.5728 4.2039 1.7769 1.7658
Maximum atom distance is 4.2039Å 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 125.557
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 136.323 C1 C3 H6 110.740
C1 C3 H7 110.602 C1 C3 H8 110.602
C2 C1 H4 118.453 C3 C1 H4 115.990
H6 C3 H7 108.675 H6 C3 H8 108.675
H7 C3 H8 107.453

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