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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

B3LYPultrafine/6-311G*


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8706 0.0000   0.7165 0.4946 0.0000
C2 0.7540 -0.4353 0.0000   -0.7866 0.3732 0.0000
C3 -0.7540 -0.4353 0.0000   0.0701 -0.8678 0.0000
H4 0.0000 1.4611 0.9094   1.2025 0.8300 0.9094
H5 1.2654 -0.7306 0.9094   -1.3201 0.6264 0.9094
H6 -1.2654 -0.7306 0.9094   0.1176 -1.4564 0.9094
H7 0.0000 1.4611 -0.9094   1.2025 0.8300 -0.9094
H8 1.2654 -0.7306 -0.9094   -1.3201 0.6264 -0.9094
H9 -1.2654 -0.7306 -0.9094   0.1176 -1.4564 -0.9094
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5080 1.5080 1.0843 2.2343 2.2343 1.0843 2.2343 2.2343
C2 1.5080 1.5080 2.2343 1.0843 2.2343 2.2343 1.0843 2.2343
C3 1.5080 1.5080 2.2343 2.2343 1.0843 2.2343 2.2343 1.0843
H4 1.0843 2.2343 2.2343 2.5308 2.5308 1.8189 3.1166 3.1166
H5 2.2343 1.0843 2.2343 2.5308 2.5308 3.1166 1.8189 3.1166
H6 2.2343 2.2343 1.0843 2.5308 2.5308 3.1166 3.1166 1.8189
H7 1.0843 2.2343 2.2343 1.8189 3.1166 3.1166 2.5308 2.5308
H8 2.2343 1.0843 2.2343 3.1166 1.8189 3.1166 2.5308 2.5308
H9 2.2343 2.2343 1.0843 3.1166 3.1166 1.8189 2.5308 2.5308
Maximum atom distance is 3.1166Å 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 118.140 C1 C2 H8 118.140
C1 C3 H6 118.140 C1 C3 H9 118.140
C2 C1 H4 118.140 C2 C1 H7 118.140
C2 C3 H6 118.140 C2 C3 H9 118.140
C3 C1 H4 118.140 C3 C1 H7 118.140
C3 C2 H5 118.140 C3 C2 H8 118.140
H4 C1 H7 114.008 H5 C2 H8 114.008
H6 C3 H9 114.008

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