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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

B3PW91/STO-3G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.8652   0.8652 0.0000 0.0000
C2 0.0000 0.6535 -0.5027   -0.5027 0.6535 0.0000
C3 0.0000 -0.6535 -0.5027   -0.5027 -0.6535 0.0000
H4 0.0000 1.5960 -1.0518   -1.0518 1.5960 0.0000
H5 0.0000 -1.5960 -1.0518   -1.0518 -1.5960 0.0000
H6 0.9189 0.0000 1.4727   1.4727 0.0000 0.9189
H7 -0.9189 0.0000 1.4727   1.4727 0.0000 -0.9189
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7
C1 1.5160 1.5160 2.4944 2.4944 1.1016 1.1016
C2 1.5160 1.3070 1.0909 2.3156 2.2746 2.2746
C3 1.5160 1.3070 2.3156 1.0909 2.2746 2.2746
H4 2.4944 1.0909 2.3156 3.1921 3.1250 3.1250
H5 2.4944 2.3156 1.0909 3.1921 3.1250 3.1250
H6 1.1016 2.2746 2.2746 3.1250 3.1250 1.8379
H7 1.1016 2.2746 2.2746 3.1250 3.1250 1.8379
Maximum atom distance is 3.1921Å 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 64.465 C1 C3 C2 64.465
C2 C1 C3 51.071
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 145.759 C1 C3 H5 145.759
C2 C1 H6 119.845 C2 C1 H7 119.845
C2 C3 H5 149.776 C3 C1 H6 119.845
C3 C1 H7 119.845 C3 C2 H4 149.776
H6 C1 H7 113.056

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