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Geometry for C3H6 (Cyclopropane) 1A1' D3H

1910171554
InChI=1S/C3H6/c1-2-3-1/h1-3H2 INChIKey=LVZWSLJZHVFIQJ-UHFFFAOYSA-N

B3LYP/CEP-121G


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8895 0.0000   0.7776 0.4320 0.0000
C2 0.7703 -0.4448 0.0000   -0.7629 0.4574 0.0000
C3 -0.7703 -0.4448 0.0000   -0.0147 -0.8894 0.0000
H4 0.0000 1.4795 0.9134   1.2933 0.7185 0.9134
H5 1.2813 -0.7397 0.9134   -1.2689 0.7608 0.9134
H6 -1.2813 -0.7397 0.9134   -0.0244 -1.4793 0.9134
H7 0.0000 1.4795 -0.9134   1.2933 0.7185 -0.9134
H8 1.2813 -0.7397 -0.9134   -1.2689 0.7608 -0.9134
H9 -1.2813 -0.7397 -0.9134   -0.0244 -1.4793 -0.9134
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5407 1.5407 1.0874 2.2651 2.2651 1.0874 2.2651 2.2651
C2 1.5407 1.5407 2.2651 1.0874 2.2651 2.2651 1.0874 2.2651
C3 1.5407 1.5407 2.2651 2.2651 1.0874 2.2651 2.2651 1.0874
H4 1.0874 2.2651 2.2651 2.5626 2.5626 1.8268 3.1471 3.1471
H5 2.2651 1.0874 2.2651 2.5626 2.5626 3.1471 1.8268 3.1471
H6 2.2651 2.2651 1.0874 2.5626 2.5626 3.1471 3.1471 1.8268
H7 1.0874 2.2651 2.2651 1.8268 3.1471 3.1471 2.5626 2.5626
H8 2.2651 1.0874 2.2651 3.1471 1.8268 3.1471 2.5626 2.5626
H9 2.2651 2.2651 1.0874 3.1471 3.1471 1.8268 2.5626 2.5626
Maximum atom distance is 3.1471Å between atoms H5 and H9.
picture of Cyclopropane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 60.000 C1 C3 C2 60.000
C2 C1 C3 60.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 118.027 C1 C2 H8 118.027
C1 C3 H6 118.027 C1 C3 H9 118.027
C2 C1 H4 118.027 C2 C1 H7 118.027
C2 C3 H6 118.027 C2 C3 H9 118.027
C3 C1 H4 118.027 C3 C1 H7 118.027
C3 C2 H5 118.027 C3 C2 H8 118.027
H4 C1 H7 114.281 H5 C2 H8 114.281
H6 C3 H9 114.281

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