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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

B97D3/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4451 0.0000   0.2046 0.3953 0.0000
C2 1.3069 0.3478 0.0000   1.3205 -0.2918 0.0000
C3 -0.9747 -0.7051 0.0000   -1.1897 -0.1782 0.0000
H4 -0.4525 1.4481 0.0000   0.2636 1.4940 0.0000
H5 2.1641 1.0085 0.0000   2.3855 -0.0990 0.0000
H6 -0.4541 -1.6655 0.0000   -1.1688 -1.2705 0.0000
H7 -1.6254 -0.6591 0.8819   -1.7464 0.1617 0.8819
H8 -1.6254 -0.6591 -0.8819   -1.7464 0.1617 -0.8819
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8
C1 1.3105 1.5077 1.1003 2.2363 2.1590 2.1538 2.1538
C2 1.3105 2.5128 2.0751 1.0823 2.6748 3.2233 3.2233
C3 1.5077 2.5128 2.2156 3.5761 1.0925 1.0969 1.0969
H4 1.1003 2.0751 2.2156 2.6533 3.1136 2.5677 2.5677
H5 2.2363 1.0823 3.5761 2.6533 3.7424 4.2331 4.2331
H6 2.1590 2.6748 1.0925 3.1136 3.7424 1.7783 1.7783
H7 2.1538 3.2233 1.0969 2.5677 4.2331 1.7783 1.7637
H8 2.1538 3.2233 1.0969 2.5677 4.2331 1.7783 1.7637
Maximum atom distance is 4.2331Å 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 125.446
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 136.089 C1 C3 H6 111.105
C1 C3 H7 110.716 C1 C3 H8 110.716
C2 C1 H4 118.240 C3 C1 H4 116.314
H6 C3 H7 108.549 H6 C3 H8 108.549
H7 C3 H8 107.079

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