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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

B1B95/6-311G**


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8646 0.0000   0.8646 0.0000 0.0000
C2 0.7487 -0.4323 0.0000   -0.4323 0.7487 0.0000
C3 -0.7487 -0.4323 0.0000   -0.4323 -0.7487 0.0000
H4 0.0000 1.4509 0.9082   1.4509 0.0000 0.9082
H5 1.2565 -0.7255 0.9082   -0.7255 1.2565 0.9082
H6 -1.2565 -0.7255 0.9082   -0.7255 -1.2565 0.9082
H7 0.0000 1.4509 -0.9082   1.4509 0.0000 -0.9082
H8 1.2565 -0.7255 -0.9082   -0.7255 1.2565 -0.9082
H9 -1.2565 -0.7255 -0.9082   -0.7255 -1.2565 -0.9082
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.4975 1.4975 1.0811 2.2208 2.2208 1.0811 2.2208 2.2208
C2 1.4975 1.4975 2.2208 1.0811 2.2208 2.2208 1.0811 2.2208
C3 1.4975 1.4975 2.2208 2.2208 1.0811 2.2208 2.2208 1.0811
H4 1.0811 2.2208 2.2208 2.5131 2.5131 1.8164 3.1008 3.1008
H5 2.2208 1.0811 2.2208 2.5131 2.5131 3.1008 1.8164 3.1008
H6 2.2208 2.2208 1.0811 2.5131 2.5131 3.1008 3.1008 1.8164
H7 1.0811 2.2208 2.2208 1.8164 3.1008 3.1008 2.5131 2.5131
H8 2.2208 1.0811 2.2208 3.1008 1.8164 3.1008 2.5131 2.5131
H9 2.2208 2.2208 1.0811 3.1008 3.1008 1.8164 2.5131 2.5131
Maximum atom distance is 3.1008Å 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 118.017 C1 C2 H8 118.017
C1 C3 H6 118.017 C1 C3 H9 118.017
C2 C1 H4 118.017 C2 C1 H7 118.017
C2 C3 H6 118.017 C2 C3 H9 118.017
C3 C1 H4 118.017 C3 C1 H7 118.017
C3 C2 H5 118.017 C3 C2 H8 118.017
H4 C1 H7 114.305 H5 C2 H8 114.305
H6 C3 H9 114.305

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