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Geometry for C3H4 (cyclopropene) 1A1 C2v

1910171554
InChI=1S/C3H4/c1-2-3-1/h1-2H,3H2 INChIKey=OOXWYYGXTJLWHA-UHFFFAOYSA-N

HSEh1PBE/6-311+G(3df,2p)


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.8558   0.8558 0.0000 0.0000
C2 0.0000 0.6432 -0.4972   -0.4972 0.6432 0.0000
C3 0.0000 -0.6432 -0.4972   -0.4972 -0.6432 0.0000
H4 0.0000 1.5737 -1.0366   -1.0366 1.5737 0.0000
H5 0.0000 -1.5737 -1.0366   -1.0366 -1.5737 0.0000
H6 0.9116 0.0000 1.4525   1.4525 0.0000 0.9116
H7 -0.9116 0.0000 1.4525   1.4525 0.0000 -0.9116
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7
C1 1.4981 1.4981 2.4612 2.4612 1.0896 1.0896
C2 1.4981 1.2863 1.0755 2.2815 2.2464 2.2464
C3 1.4981 1.2863 2.2815 1.0755 2.2464 2.2464
H4 2.4612 1.0755 2.2815 3.1473 3.0828 3.0828
H5 2.4612 2.2815 1.0755 3.1473 3.0828 3.0828
H6 1.0896 2.2464 2.2464 3.0828 3.0828 1.8232
H7 1.0896 2.2464 2.2464 3.0828 3.0828 1.8232
Maximum atom distance is 3.1473Å between atoms H4 and H5.
picture of cyclopropene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 64.575 C1 C3 C2 64.575
C2 C1 C3 50.850
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 145.527 C1 C3 H5 145.527
C2 C1 H6 119.647 C2 C1 H7 119.647
C2 C3 H5 149.898 C3 C1 H6 119.647
C3 C1 H7 119.647 C3 C2 H4 149.898
H6 C1 H7 113.580

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