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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

HF/Def2TZVPP


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8635 0.0000   0.7430 0.4401 0.0000
C2 0.7478 -0.4318 0.0000   -0.7526 0.4234 0.0000
C3 -0.7478 -0.4318 0.0000   0.0096 -0.8635 0.0000
H4 0.0000 1.4464 0.9011   1.2445 0.7372 0.9011
H5 1.2527 -0.7232 0.9011   -1.2607 0.7092 0.9011
H6 -1.2527 -0.7232 0.9011   0.0162 -1.4464 0.9011
H7 0.0000 1.4464 -0.9011   1.2445 0.7372 -0.9011
H8 1.2527 -0.7232 -0.9011   -1.2607 0.7092 -0.9011
H9 -1.2527 -0.7232 -0.9011   0.0162 -1.4464 -0.9011
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.4957 1.4957 1.0732 2.2133 2.2133 1.0732 2.2133 2.2133
C2 1.4957 1.4957 2.2133 1.0732 2.2133 2.2133 1.0732 2.2133
C3 1.4957 1.4957 2.2133 2.2133 1.0732 2.2133 2.2133 1.0732
H4 1.0732 2.2133 2.2133 2.5053 2.5053 1.8021 3.0861 3.0861
H5 2.2133 1.0732 2.2133 2.5053 2.5053 3.0861 1.8021 3.0861
H6 2.2133 2.2133 1.0732 2.5053 2.5053 3.0861 3.0861 1.8021
H7 1.0732 2.2133 2.2133 1.8021 3.0861 3.0861 2.5053 2.5053
H8 2.2133 1.0732 2.2133 3.0861 1.8021 3.0861 2.5053 2.5053
H9 2.2133 2.2133 1.0732 3.0861 3.0861 1.8021 2.5053 2.5053
Maximum atom distance is 3.0861Å 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 118.061 C1 C2 H8 118.061
C1 C3 H6 118.061 C1 C3 H9 118.061
C2 C1 H4 118.061 C2 C1 H7 118.061
C2 C3 H6 118.061 C2 C3 H9 118.061
C3 C1 H4 118.061 C3 C1 H7 118.061
C3 C2 H5 118.061 C3 C2 H8 118.061
H4 C1 H7 114.200 H5 C2 H8 114.200
H6 C3 H9 114.200

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