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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

MP2/6-311G**


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8713 0.0000   0.8713 0.0000 0.0000
C2 0.7546 -0.4357 0.0000   -0.4357 0.7546 0.0000
C3 -0.7546 -0.4357 0.0000   -0.4357 -0.7546 0.0000
H4 0.0000 1.4540 0.9137   1.4540 0.0000 0.9137
H5 1.2592 -0.7270 0.9137   -0.7270 1.2592 0.9137
H6 -1.2592 -0.7270 0.9137   -0.7270 -1.2592 0.9137
H7 0.0000 1.4540 -0.9137   1.4540 0.0000 -0.9137
H8 1.2592 -0.7270 -0.9137   -0.7270 1.2592 -0.9137
H9 -1.2592 -0.7270 -0.9137   -0.7270 -1.2592 -0.9137
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5091 1.5091 1.0837 2.2305 2.2305 1.0837 2.2305 2.2305
C2 1.5091 1.5091 2.2305 1.0837 2.2305 2.2305 1.0837 2.2305
C3 1.5091 1.5091 2.2305 2.2305 1.0837 2.2305 2.2305 1.0837
H4 1.0837 2.2305 2.2305 2.5184 2.5184 1.8273 3.1115 3.1115
H5 2.2305 1.0837 2.2305 2.5184 2.5184 3.1115 1.8273 3.1115
H6 2.2305 2.2305 1.0837 2.5184 2.5184 3.1115 3.1115 1.8273
H7 1.0837 2.2305 2.2305 1.8273 3.1115 3.1115 2.5184 2.5184
H8 2.2305 1.0837 2.2305 3.1115 1.8273 3.1115 2.5184 2.5184
H9 2.2305 2.2305 1.0837 3.1115 3.1115 1.8273 2.5184 2.5184
Maximum atom distance is 3.1115Å 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 117.754 C1 C2 H8 117.754
C1 C3 H6 117.754 C1 C3 H9 117.754
C2 C1 H4 117.754 C2 C1 H7 117.754
C2 C3 H6 117.754 C2 C3 H9 117.754
C3 C1 H4 117.754 C3 C1 H7 117.754
C3 C2 H5 117.754 C3 C2 H8 117.754
H4 C1 H7 114.942 H5 C2 H8 114.942
H6 C3 H9 114.942

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