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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=FULL/6-311G**


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8701 0.0000   0.8701 0.0000 0.0000
C2 0.7536 -0.4351 0.0000   -0.4351 0.7536 0.0000
C3 -0.7536 -0.4351 0.0000   -0.4351 -0.7536 0.0000
H4 0.0000 1.4527 0.9133   1.4527 0.0000 0.9133
H5 1.2581 -0.7264 0.9133   -0.7264 1.2581 0.9133
H6 -1.2581 -0.7264 0.9133   -0.7264 -1.2581 0.9133
H7 0.0000 1.4527 -0.9133   1.4527 0.0000 -0.9133
H8 1.2581 -0.7264 -0.9133   -0.7264 1.2581 -0.9133
H9 -1.2581 -0.7264 -0.9133   -0.7264 -1.2581 -0.9133
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5071 1.5071 1.0833 2.2284 2.2284 1.0833 2.2284 2.2284
C2 1.5071 1.5071 2.2284 1.0833 2.2284 2.2284 1.0833 2.2284
C3 1.5071 1.5071 2.2284 2.2284 1.0833 2.2284 2.2284 1.0833
H4 1.0833 2.2284 2.2284 2.5162 2.5162 1.8265 3.1092 3.1092
H5 2.2284 1.0833 2.2284 2.5162 2.5162 3.1092 1.8265 3.1092
H6 2.2284 2.2284 1.0833 2.5162 2.5162 3.1092 3.1092 1.8265
H7 1.0833 2.2284 2.2284 1.8265 3.1092 3.1092 2.5162 2.5162
H8 2.2284 1.0833 2.2284 3.1092 1.8265 3.1092 2.5162 2.5162
H9 2.2284 2.2284 1.0833 3.1092 3.1092 1.8265 2.5162 2.5162
Maximum atom distance is 3.1092Å 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 117.760 C1 C2 H8 117.760
C1 C3 H6 117.760 C1 C3 H9 117.760
C2 C1 H4 117.760 C2 C1 H7 117.760
C2 C3 H6 117.760 C2 C3 H9 117.760
C3 C1 H4 117.760 C3 C1 H7 117.760
C3 C2 H5 117.760 C3 C2 H8 117.760
H4 C1 H7 114.929 H5 C2 H8 114.929
H6 C3 H9 114.929

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