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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

B2PLYP=FULL/cc-pVDZ


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8723 0.0000   0.8723 0.0000 0.0000
C2 0.7554 -0.4362 0.0000   -0.4362 0.7554 0.0000
C3 -0.7554 -0.4362 0.0000   -0.4362 -0.7554 0.0000
H4 0.0000 1.4628 0.9178   1.4628 0.0000 0.9178
H5 1.2668 -0.7314 0.9178   -0.7314 1.2668 0.9178
H6 -1.2668 -0.7314 0.9178   -0.7314 -1.2668 0.9178
H7 0.0000 1.4628 -0.9178   1.4628 0.0000 -0.9178
H8 1.2668 -0.7314 -0.9178   -0.7314 1.2668 -0.9178
H9 -1.2668 -0.7314 -0.9178   -0.7314 -1.2668 -0.9178
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5109 1.5109 1.0913 2.2403 2.2403 1.0913 2.2403 2.2403
C2 1.5109 1.5109 2.2403 1.0913 2.2403 2.2403 1.0913 2.2403
C3 1.5109 1.5109 2.2403 2.2403 1.0913 2.2403 2.2403 1.0913
H4 1.0913 2.2403 2.2403 2.5336 2.5336 1.8355 3.1286 3.1286
H5 2.2403 1.0913 2.2403 2.5336 2.5336 3.1286 1.8355 3.1286
H6 2.2403 2.2403 1.0913 2.5336 2.5336 3.1286 3.1286 1.8355
H7 1.0913 2.2403 2.2403 1.8355 3.1286 3.1286 2.5336 2.5336
H8 2.2403 1.0913 2.2403 3.1286 1.8355 3.1286 2.5336 2.5336
H9 2.2403 2.2403 1.0913 3.1286 3.1286 1.8355 2.5336 2.5336
Maximum atom distance is 3.1286Å 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 117.942 C1 C2 H8 117.942
C1 C3 H6 117.942 C1 C3 H9 117.942
C2 C1 H4 117.942 C2 C1 H7 117.942
C2 C3 H6 117.942 C2 C3 H9 117.942
C3 C1 H4 117.942 C3 C1 H7 117.942
C3 C2 H5 117.942 C3 C2 H8 117.942
H4 C1 H7 114.488 H5 C2 H8 114.488
H6 C3 H9 114.488

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