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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

PBEPBE/6-311G*


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8728 0.0000   0.8728 0.0000 0.0000
C2 0.7558 -0.4364 0.0000   -0.4364 0.7558 0.0000
C3 -0.7558 -0.4364 0.0000   -0.4364 -0.7558 0.0000
H4 0.0000 1.4671 0.9163   1.4671 0.0000 0.9163
H5 1.2705 -0.7335 0.9163   -0.7335 1.2705 0.9163
H6 -1.2705 -0.7335 0.9163   -0.7335 -1.2705 0.9163
H7 0.0000 1.4671 -0.9163   1.4671 0.0000 -0.9163
H8 1.2705 -0.7335 -0.9163   -0.7335 1.2705 -0.9163
H9 -1.2705 -0.7335 -0.9163   -0.7335 -1.2705 -0.9163
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5117 1.5117 1.0922 2.2437 2.2437 1.0922 2.2437 2.2437
C2 1.5117 1.5117 2.2437 1.0922 2.2437 2.2437 1.0922 2.2437
C3 1.5117 1.5117 2.2437 2.2437 1.0922 2.2437 2.2437 1.0922
H4 1.0922 2.2437 2.2437 2.5411 2.5411 1.8326 3.1330 3.1330
H5 2.2437 1.0922 2.2437 2.5411 2.5411 3.1330 1.8326 3.1330
H6 2.2437 2.2437 1.0922 2.5411 2.5411 3.1330 3.1330 1.8326
H7 1.0922 2.2437 2.2437 1.8326 3.1330 3.1330 2.5411 2.5411
H8 2.2437 1.0922 2.2437 3.1330 1.8326 3.1330 2.5411 2.5411
H9 2.2437 2.2437 1.0922 3.1330 3.1330 1.8326 2.5411 2.5411
Maximum atom distance is 3.1330Å 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 118.116 C1 C2 H8 118.116
C1 C3 H6 118.116 C1 C3 H9 118.116
C2 C1 H4 118.116 C2 C1 H7 118.116
C2 C3 H6 118.116 C2 C3 H9 118.116
C3 C1 H4 118.116 C3 C1 H7 118.116
C3 C2 H5 118.116 C3 C2 H8 118.116
H4 C1 H7 114.065 H5 C2 H8 114.065
H6 C3 H9 114.065

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