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Geometry for C3H3 (cyclopropenyl radical)

1910171554

PBEPBE/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0374 0.8932 0.0000   0.0027 -0.0373 0.8932
H2 0.7528 1.6618 0.0000   -0.0542 0.7508 1.6618
C3 -0.0374 -0.4201 0.6623   0.6633 0.0104 -0.4201
C4 -0.0374 -0.4201 -0.6623   -0.6579 -0.0850 -0.4201
H5 -0.0394 -0.9896 1.5893   1.5880 0.0751 -0.9896
H6 -0.0394 -0.9896 -1.5893   -1.5823 -0.1538 -0.9896
Atom - Atom Distances (Å)
  C1 H2 C3 C4 H5 H6
C1 1.1024 1.4708 1.4708 2.4639 2.4639
H2 1.1024 2.3233 2.3233 3.1912 3.1912
C3 1.4708 2.3233 1.3247 1.0879 2.3226
C4 1.4708 2.3233 1.3247 2.3226 1.0879
H5 2.4639 3.1912 1.0879 2.3226 3.1786
H6 2.4639 3.1912 2.3226 1.0879 3.1786
Maximum atom distance is 3.1912Å between atoms H2 and H5.
picture of cyclopropenyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 C4 63.236 C1 C4 C3 63.236
C3 C1 C4 53.528
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H5 148.330 C1 C4 H6 148.330
H2 C1 C3 128.502 H2 C1 C4 128.502
C3 C4 H6 148.433 C4 C3 H5 148.433

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