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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

CISD/cc-pVDZ


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8713 0.0000   0.8713 0.0000 0.0000
C2 0.7545 -0.4356 0.0000   -0.4356 0.7545 0.0000
C3 -0.7545 -0.4356 0.0000   -0.4356 -0.7545 0.0000
H4 0.0000 1.4605 0.9164   1.4605 0.0000 0.9164
H5 1.2648 -0.7303 0.9164   -0.7303 1.2648 0.9164
H6 -1.2648 -0.7303 0.9164   -0.7303 -1.2648 0.9164
H7 0.0000 1.4605 -0.9164   1.4605 0.0000 -0.9164
H8 1.2648 -0.7303 -0.9164   -0.7303 1.2648 -0.9164
H9 -1.2648 -0.7303 -0.9164   -0.7303 -1.2648 -0.9164
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5091 1.5091 1.0895 2.2370 2.2370 1.0895 2.2370 2.2370
C2 1.5091 1.5091 2.2370 1.0895 2.2370 2.2370 1.0895 2.2370
C3 1.5091 1.5091 2.2370 2.2370 1.0895 2.2370 2.2370 1.0895
H4 1.0895 2.2370 2.2370 2.5297 2.5297 1.8327 3.1238 3.1238
H5 2.2370 1.0895 2.2370 2.5297 2.5297 3.1238 1.8327 3.1238
H6 2.2370 2.2370 1.0895 2.5297 2.5297 3.1238 3.1238 1.8327
H7 1.0895 2.2370 2.2370 1.8327 3.1238 3.1238 2.5297 2.5297
H8 2.2370 1.0895 2.2370 3.1238 1.8327 3.1238 2.5297 2.5297
H9 2.2370 2.2370 1.0895 3.1238 3.1238 1.8327 2.5297 2.5297
Maximum atom distance is 3.1238Å 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 117.931 C1 C2 H8 117.931
C1 C3 H6 117.931 C1 C3 H9 117.931
C2 C1 H4 117.931 C2 C1 H7 117.931
C2 C3 H6 117.931 C2 C3 H9 117.931
C3 C1 H4 117.931 C3 C1 H7 117.931
C3 C2 H5 117.931 C3 C2 H8 117.931
H4 C1 H7 114.513 H5 C2 H8 114.513
H6 C3 H9 114.513

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