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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

BLYP/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 0.8694   0.8694 0.0000 0.0000
C2 0.0000 0.6483 -0.5043   -0.5043 0.6483 0.0000
C3 0.0000 -0.6483 -0.5043   -0.5043 -0.6483 0.0000
H4 0.0000 1.5816 -1.0498   -1.0498 1.5816 0.0000
H5 0.0000 -1.5816 -1.0498   -1.0498 -1.5816 0.0000
H6 0.9167 0.0000 1.4675   1.4675 0.0000 0.9167
H7 -0.9167 0.0000 1.4675   1.4675 0.0000 -0.9167
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7
C1 1.5191 1.5191 2.4869 2.4869 1.0945 1.0945
C2 1.5191 1.2965 1.0810 2.2956 2.2691 2.2691
C3 1.5191 1.2965 2.2956 1.0810 2.2691 2.2691
H4 2.4869 1.0810 2.2956 3.1632 3.1110 3.1110
H5 2.4869 2.2956 1.0810 3.1632 3.1110 3.1110
H6 1.0945 2.2691 2.2691 3.1110 3.1110 1.8334
H7 1.0945 2.2691 2.2691 3.1110 3.1110 1.8334
Maximum atom distance is 3.1632Å 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 64.738 C1 C3 C2 64.738
C2 C1 C3 50.523
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 145.563 C1 C3 H5 145.563
C2 C1 H6 119.614 C2 C1 H7 119.614
C2 C3 H5 149.699 C3 C1 H6 119.614
C3 C1 H7 119.614 C3 C2 H4 149.699
H6 C1 H7 113.758

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