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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

M06-2X/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4620 0.0000   0.2157 0.4085 0.0000
C2 1.3096 0.3375 0.0000   1.3157 -0.3129 0.0000
C3 -0.9719 -0.7169 0.0000   -1.1942 -0.1802 0.0000
H4 -0.4714 1.4555 0.0000   0.2626 1.5072 0.0000
H5 2.1135 1.0811 0.0000   2.3738 -0.0306 0.0000
H6 -0.4303 -1.6685 0.0000   -1.1595 -1.2746 0.0000
H7 -1.6189 -0.6818 0.8865   -1.7499 0.1528 0.8865
H8 -1.6189 -0.6818 -0.8865   -1.7499 0.1528 -0.8865
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8
C1 1.3155 1.5278 1.0997 2.2024 2.1734 2.1714 2.1714
C2 1.3155 2.5134 2.1029 1.0951 2.6554 3.2250 3.2250
C3 1.5278 2.5134 2.2293 3.5711 1.0949 1.0980 1.0980
H4 1.0997 2.1029 2.2293 2.6119 3.1242 2.5828 2.5828
H5 2.2024 1.0951 3.5711 2.6119 3.7459 4.2219 4.2219
H6 2.1734 2.6554 1.0949 3.1242 3.7459 1.7811 1.7811
H7 2.1714 3.2250 1.0980 2.5828 4.2219 1.7811 1.7730
H8 2.1714 3.2250 1.0980 2.5828 4.2219 1.7811 1.7730
Maximum atom distance is 4.2219Å 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 124.077
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 131.803 C1 C3 H6 110.847
C1 C3 H7 110.498 C1 C3 H8 110.498
C2 C1 H4 120.812 C3 C1 H4 115.111
H6 C3 H7 108.616 H6 C3 H8 108.616
H7 C3 H8 107.676

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