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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

mPW1PW91/aug-cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.8607   0.8607 0.0000 0.0000
C2 0.0000 0.6487 -0.4997   -0.4997 0.6487 0.0000
C3 0.0000 -0.6487 -0.4997   -0.4997 -0.6487 0.0000
H4 0.0000 1.5840 -1.0444   -1.0444 1.5840 0.0000
H5 0.0000 -1.5840 -1.0444   -1.0444 -1.5840 0.0000
H6 0.9172 0.0000 1.4608   1.4608 0.0000 0.9172
H7 -0.9172 0.0000 1.4608   1.4608 0.0000 -0.9172
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7
C1 1.5072 1.5072 2.4776 2.4776 1.0960 1.0960
C2 1.5072 1.2974 1.0823 2.2982 2.2596 2.2596
C3 1.5072 1.2974 2.2982 1.0823 2.2596 2.2596
H4 2.4776 1.0823 2.2982 3.1680 3.1026 3.1026
H5 2.4776 2.2982 1.0823 3.1680 3.1026 3.1026
H6 1.0960 2.2596 2.2596 3.1026 3.1026 1.8343
H7 1.0960 2.2596 2.2596 3.1026 3.1026 1.8343
Maximum atom distance is 3.1680Å 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 64.506 C1 C3 C2 64.506
C2 C1 C3 50.988
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 145.706 C1 C3 H5 145.706
C2 C1 H6 119.618 C2 C1 H7 119.618
C2 C3 H5 149.788 C3 C1 H6 119.618
C3 C1 H7 119.618 C3 C2 H4 149.788
H6 C1 H7 113.606

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