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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

MP2/6-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.8594   0.8594 0.0000 0.0000
C2 0.0000 0.6513 -0.4994   -0.4994 0.6513 0.0000
C3 0.0000 -0.6513 -0.4994   -0.4994 -0.6513 0.0000
H4 0.0000 1.5854 -1.0389   -1.0389 1.5854 0.0000
H5 0.0000 -1.5854 -1.0389   -1.0389 -1.5854 0.0000
H6 0.9127 0.0000 1.4574   1.4574 0.0000 0.9127
H7 -0.9127 0.0000 1.4574   1.4574 0.0000 -0.9127
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7
C1 1.5068 1.5068 2.4732 2.4732 1.0912 1.0912
C2 1.5068 1.3026 1.0787 2.3009 2.2554 2.2554
C3 1.5068 1.3026 2.3009 1.0787 2.2554 2.2554
H4 2.4732 1.0787 2.3009 3.1708 3.0949 3.0949
H5 2.4732 2.3009 1.0787 3.1708 3.0949 3.0949
H6 1.0912 2.2554 2.2554 3.0949 3.0949 1.8255
H7 1.0912 2.2554 2.2554 3.0949 3.0949 1.8255
Maximum atom distance is 3.1708Å 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 64.390 C1 C3 C2 64.390
C2 C1 C3 51.221
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 145.618 C1 C3 H5 145.618
C2 C1 H6 119.619 C2 C1 H7 119.619
C2 C3 H5 149.992 C3 C1 H6 119.619
C3 C1 H7 119.619 C3 C2 H4 149.992
H6 C1 H7 113.531

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