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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

B3LYP/CEP-121G*


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8798 0.0000   0.0000 0.8798 0.0000
C2 0.7619 -0.4399 0.0000   0.7619 -0.4399 0.0000
C3 -0.7619 -0.4399 0.0000   -0.7619 -0.4399 0.0000
H4 0.0000 1.4697 0.9150   0.0000 1.4697 0.9150
H5 1.2728 -0.7349 0.9150   1.2728 -0.7349 0.9150
H6 -1.2728 -0.7349 0.9150   -1.2728 -0.7349 0.9150
H7 0.0000 1.4697 -0.9150   0.0000 1.4697 -0.9150
H8 1.2728 -0.7349 -0.9150   1.2728 -0.7349 -0.9150
H9 -1.2728 -0.7349 -0.9150   -1.2728 -0.7349 -0.9150
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5238 1.5238 1.0886 2.2504 2.2504 1.0886 2.2504 2.2504
C2 1.5238 1.5238 2.2504 1.0886 2.2504 2.2504 1.0886 2.2504
C3 1.5238 1.5238 2.2504 2.2504 1.0886 2.2504 2.2504 1.0886
H4 1.0886 2.2504 2.2504 2.5456 2.5456 1.8299 3.1351 3.1351
H5 2.2504 1.0886 2.2504 2.5456 2.5456 3.1351 1.8299 3.1351
H6 2.2504 2.2504 1.0886 2.5456 2.5456 3.1351 3.1351 1.8299
H7 1.0886 2.2504 2.2504 1.8299 3.1351 3.1351 2.5456 2.5456
H8 2.2504 1.0886 2.2504 3.1351 1.8299 3.1351 2.5456 2.5456
H9 2.2504 2.2504 1.0886 3.1351 3.1351 1.8299 2.5456 2.5456
Maximum atom distance is 3.1351Å 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 117.988 C1 C2 H8 117.988
C1 C3 H6 117.988 C1 C3 H9 117.988
C2 C1 H4 117.988 C2 C1 H7 117.988
C2 C3 H6 117.988 C2 C3 H9 117.988
C3 C1 H4 117.988 C3 C1 H7 117.988
C3 C2 H5 117.988 C3 C2 H8 117.988
H4 C1 H7 114.375 H5 C2 H8 114.375
H6 C3 H9 114.375

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