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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

CID/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4526 0.0000   -0.2129 -0.3993 0.0000
C2 1.3112 0.3445 0.0000   -1.3191 0.3130 0.0000
C3 -0.9782 -0.7085 0.0000   1.1965 0.1649 0.0000
H4 -0.4539 1.4505 0.0000   -0.2820 -1.4935 0.0000
H5 2.1514 1.0281 0.0000   -2.3821 0.1051 0.0000
H6 -0.4446 -1.6654 0.0000   1.1760 1.2602 0.0000
H7 -1.6256 -0.6726 0.8864   1.7509 -0.1715 0.8864
H8 -1.6256 -0.6726 -0.8864   1.7509 -0.1715 -0.8864
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8
C1 1.3157 1.5181 1.0964 2.2270 2.1641 2.1666 2.1666
C2 1.3157 2.5199 2.0830 1.0831 2.6689 3.2319 3.2319
C3 1.5181 2.5199 2.2217 3.5791 1.0956 1.0983 1.0983
H4 1.0964 2.0830 2.2217 2.6393 3.1159 2.5819 2.5819
H5 2.2270 1.0831 3.5791 2.6393 3.7409 4.2360 4.2360
H6 2.1641 2.6689 1.0956 3.1159 3.7409 1.7793 1.7793
H7 2.1666 3.2319 1.0983 2.5819 4.2360 1.7793 1.7728
H8 2.1666 3.2319 1.0983 2.5819 4.2360 1.7793 1.7728
Maximum atom distance is 4.2360Å 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 125.405
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 136.158 C1 C3 H6 110.744
C1 C3 H7 110.783 C1 C3 H8 110.783
C2 C1 H4 119.167 C3 C1 H4 115.428
H6 C3 H7 108.398 H6 C3 H8 108.398
H7 C3 H8 107.628

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