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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/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 0.8644 0.0000   0.0000 0.8644 0.0000
C2 0.7486 -0.4322 0.0000   0.7486 -0.4322 0.0000
C3 -0.7486 -0.4322 0.0000   -0.7486 -0.4322 0.0000
H4 0.0000 1.4494 0.9023   0.0000 1.4494 0.9023
H5 1.2552 -0.7247 0.9023   1.2552 -0.7247 0.9023
H6 -1.2552 -0.7247 0.9023   -1.2552 -0.7247 0.9023
H7 0.0000 1.4494 -0.9023   0.0000 1.4494 -0.9023
H8 1.2552 -0.7247 -0.9023   1.2552 -0.7247 -0.9023
H9 -1.2552 -0.7247 -0.9023   -1.2552 -0.7247 -0.9023
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.4972 1.4972 1.0754 2.2170 2.2170 1.0754 2.2170 2.2170
C2 1.4972 1.4972 2.2170 1.0754 2.2170 2.2170 1.0754 2.2170
C3 1.4972 1.4972 2.2170 2.2170 1.0754 2.2170 2.2170 1.0754
H4 1.0754 2.2170 2.2170 2.5105 2.5105 1.8047 3.0918 3.0918
H5 2.2170 1.0754 2.2170 2.5105 2.5105 3.0918 1.8047 3.0918
H6 2.2170 2.2170 1.0754 2.5105 2.5105 3.0918 3.0918 1.8047
H7 1.0754 2.2170 2.2170 1.8047 3.0918 3.0918 2.5105 2.5105
H8 2.2170 1.0754 2.2170 3.0918 1.8047 3.0918 2.5105 2.5105
H9 2.2170 2.2170 1.0754 3.0918 3.0918 1.8047 2.5105 2.5105
Maximum atom distance is 3.0918Å 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 118.108 C1 C2 H8 118.108
C1 C3 H6 118.108 C1 C3 H9 118.108
C2 C1 H4 118.108 C2 C1 H7 118.108
C2 C3 H6 118.108 C2 C3 H9 118.108
C3 C1 H4 118.108 C3 C1 H7 118.108
C3 C2 H5 118.108 C3 C2 H8 118.108
H4 C1 H7 114.084 H5 C2 H8 114.084
H6 C3 H9 114.084

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