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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

MP3/6-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.8610   0.8610 0.0000 0.0000
C2 0.0000 0.6483 -0.5007   -0.5007 0.6483 0.0000
C3 0.0000 -0.6483 -0.5007   -0.5007 -0.6483 0.0000
H4 0.0000 1.5818 -1.0397   -1.0397 1.5818 0.0000
H5 0.0000 -1.5818 -1.0397   -1.0397 -1.5818 0.0000
H6 0.9123 0.0000 1.4606   1.4606 0.0000 0.9123
H7 -0.9123 0.0000 1.4606   1.4606 0.0000 -0.9123
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7
C1 1.5082 1.5082 2.4728 2.4728 1.0917 1.0917
C2 1.5082 1.2967 1.0779 2.2944 2.2581 2.2581
C3 1.5082 1.2967 2.2944 1.0779 2.2581 2.2581
H4 2.4728 1.0779 2.2944 3.1636 3.0961 3.0961
H5 2.4728 2.2944 1.0779 3.1636 3.0961 3.0961
H6 1.0917 2.2581 2.2581 3.0961 3.0961 1.8247
H7 1.0917 2.2581 2.2581 3.0961 3.0961 1.8247
Maximum atom distance is 3.1636Å 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 64.540 C1 C3 C2 64.540
C2 C1 C3 50.920
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 145.467 C1 C3 H5 145.467
C2 C1 H6 119.725 C2 C1 H7 119.725
C2 C3 H5 149.994 C3 C1 H6 119.725
C3 C1 H7 119.725 C3 C2 H4 149.994
H6 C1 H7 113.380

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