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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

G4
This model chemistry uses a geometry from B3LYP/6-31G(2df,p)


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8702 0.0000   0.8702 0.0000 0.0000
C2 0.7536 -0.4351 0.0000   -0.4351 0.7536 0.0000
C3 -0.7536 -0.4351 0.0000   -0.4351 -0.7536 0.0000
H4 0.0000 1.4609 0.9095   1.4609 0.0000 0.9095
H5 1.2651 -0.7304 0.9095   -0.7304 1.2651 0.9095
H6 -1.2651 -0.7304 0.9095   -0.7304 -1.2651 0.9095
H7 0.0000 1.4609 -0.9095   1.4609 0.0000 -0.9095
H8 1.2651 -0.7304 -0.9095   -0.7304 1.2651 -0.9095
H9 -1.2651 -0.7304 -0.9095   -0.7304 -1.2651 -0.9095
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5072 1.5072 1.0844 2.2338 2.2338 1.0844 2.2338 2.2338
C2 1.5072 1.5072 2.2338 1.0844 2.2338 2.2338 1.0844 2.2338
C3 1.5072 1.5072 2.2338 2.2338 1.0844 2.2338 2.2338 1.0844
H4 1.0844 2.2338 2.2338 2.5303 2.5303 1.8190 3.1162 3.1162
H5 2.2338 1.0844 2.2338 2.5303 2.5303 3.1162 1.8190 3.1162
H6 2.2338 2.2338 1.0844 2.5303 2.5303 3.1162 3.1162 1.8190
H7 1.0844 2.2338 2.2338 1.8190 3.1162 3.1162 2.5303 2.5303
H8 2.2338 1.0844 2.2338 3.1162 1.8190 3.1162 2.5303 2.5303
H9 2.2338 2.2338 1.0844 3.1162 3.1162 1.8190 2.5303 2.5303
Maximum atom distance is 3.1162Å 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 118.167 C1 C2 H8 118.167
C1 C3 H6 118.167 C1 C3 H9 118.167
C2 C1 H4 118.167 C2 C1 H7 118.167
C2 C3 H6 118.167 C2 C3 H9 118.167
C3 C1 H4 118.167 C3 C1 H7 118.167
C3 C2 H5 118.167 C3 C2 H8 118.167
H4 C1 H7 113.942 H5 C2 H8 113.942
H6 C3 H9 113.942

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