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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

QCISD/6-31+G**


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8707 0.0000   0.8707 0.0000 0.0000
C2 0.7540 -0.4353 0.0000   -0.4353 0.7540 0.0000
C3 -0.7540 -0.4353 0.0000   -0.4353 -0.7540 0.0000
H4 0.0000 1.4564 0.9097   1.4564 0.0000 0.9097
H5 1.2612 -0.7282 0.9097   -0.7282 1.2612 0.9097
H6 -1.2612 -0.7282 0.9097   -0.7282 -1.2612 0.9097
H7 0.0000 1.4564 -0.9097   1.4564 0.0000 -0.9097
H8 1.2612 -0.7282 -0.9097   -0.7282 1.2612 -0.9097
H9 -1.2612 -0.7282 -0.9097   -0.7282 -1.2612 -0.9097
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5080 1.5080 1.0819 2.2304 2.2304 1.0819 2.2304 2.2304
C2 1.5080 1.5080 2.2304 1.0819 2.2304 2.2304 1.0819 2.2304
C3 1.5080 1.5080 2.2304 2.2304 1.0819 2.2304 2.2304 1.0819
H4 1.0819 2.2304 2.2304 2.5225 2.5225 1.8194 3.1102 3.1102
H5 2.2304 1.0819 2.2304 2.5225 2.5225 3.1102 1.8194 3.1102
H6 2.2304 2.2304 1.0819 2.5225 2.5225 3.1102 3.1102 1.8194
H7 1.0819 2.2304 2.2304 1.8194 3.1102 3.1102 2.5225 2.5225
H8 2.2304 1.0819 2.2304 3.1102 1.8194 3.1102 2.5225 2.5225
H9 2.2304 2.2304 1.0819 3.1102 3.1102 1.8194 2.5225 2.5225
Maximum atom distance is 3.1102Å between atoms H4 and H8.
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 117.957 C1 C2 H8 117.957
C1 C3 H6 117.957 C1 C3 H9 117.957
C2 C1 H4 117.957 C2 C1 H7 117.957
C2 C3 H6 117.957 C2 C3 H9 117.957
C3 C1 H4 117.957 C3 C1 H7 117.957
C3 C2 H5 117.957 C3 C2 H8 117.957
H4 C1 H7 114.450 H5 C2 H8 114.450
H6 C3 H9 114.450

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