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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

B3PW91/6-31G*


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8684 0.0000   0.0000 0.8684 0.0000
C2 0.7520 -0.4342 0.0000   0.7520 -0.4342 0.0000
C3 -0.7520 -0.4342 0.0000   -0.7520 -0.4342 0.0000
H4 0.0000 1.4600 0.9116   0.0000 1.4600 0.9116
H5 1.2644 -0.7300 0.9116   1.2644 -0.7300 0.9116
H6 -1.2644 -0.7300 0.9116   -1.2644 -0.7300 0.9116
H7 0.0000 1.4600 -0.9116   0.0000 1.4600 -0.9116
H8 1.2644 -0.7300 -0.9116   1.2644 -0.7300 -0.9116
H9 -1.2644 -0.7300 -0.9116   -1.2644 -0.7300 -0.9116
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5040 1.5040 1.0867 2.2326 2.2326 1.0867 2.2326 2.2326
C2 1.5040 1.5040 2.2326 1.0867 2.2326 2.2326 1.0867 2.2326
C3 1.5040 1.5040 2.2326 2.2326 1.0867 2.2326 2.2326 1.0867
H4 1.0867 2.2326 2.2326 2.5289 2.5289 1.8231 3.1175 3.1175
H5 2.2326 1.0867 2.2326 2.5289 2.5289 3.1175 1.8231 3.1175
H6 2.2326 2.2326 1.0867 2.5289 2.5289 3.1175 3.1175 1.8231
H7 1.0867 2.2326 2.2326 1.8231 3.1175 3.1175 2.5289 2.5289
H8 2.2326 1.0867 2.2326 3.1175 1.8231 3.1175 2.5289 2.5289
H9 2.2326 2.2326 1.0867 3.1175 3.1175 1.8231 2.5289 2.5289
Maximum atom distance is 3.1175Å between atoms H4 and H8.
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 118.132 C1 C2 H8 118.132
C1 C3 H6 118.132 C1 C3 H9 118.132
C2 C1 H4 118.132 C2 C1 H7 118.132
C2 C3 H6 118.132 C2 C3 H9 118.132
C3 C1 H4 118.132 C3 C1 H7 118.132
C3 C2 H5 118.132 C3 C2 H8 118.132
H4 C1 H7 114.026 H5 C2 H8 114.026
H6 C3 H9 114.026

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