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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/6-311G*


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8728 0.0000   0.8728 0.0000 0.0000
C2 0.7559 -0.4364 0.0000   -0.4364 0.7559 0.0000
C3 -0.7559 -0.4364 0.0000   -0.4364 -0.7559 0.0000
H4 0.0000 1.4614 0.9137   1.4614 0.0000 0.9137
H5 1.2656 -0.7307 0.9137   -0.7307 1.2656 0.9137
H6 -1.2656 -0.7307 0.9137   -0.7307 -1.2656 0.9137
H7 0.0000 1.4614 -0.9137   1.4614 0.0000 -0.9137
H8 1.2656 -0.7307 -0.9137   -0.7307 1.2656 -0.9137
H9 -1.2656 -0.7307 -0.9137   -0.7307 -1.2656 -0.9137
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5117 1.5117 1.0869 2.2378 2.2378 1.0869 2.2378 2.2378
C2 1.5117 1.5117 2.2378 1.0869 2.2378 2.2378 1.0869 2.2378
C3 1.5117 1.5117 2.2378 2.2378 1.0869 2.2378 2.2378 1.0869
H4 1.0869 2.2378 2.2378 2.5312 2.5312 1.8274 3.1219 3.1219
H5 2.2378 1.0869 2.2378 2.5312 2.5312 3.1219 1.8274 3.1219
H6 2.2378 2.2378 1.0869 2.5312 2.5312 3.1219 3.1219 1.8274
H7 1.0869 2.2378 2.2378 1.8274 3.1219 3.1219 2.5312 2.5312
H8 2.2378 1.0869 2.2378 3.1219 1.8274 3.1219 2.5312 2.5312
H9 2.2378 2.2378 1.0869 3.1219 3.1219 1.8274 2.5312 2.5312
Maximum atom distance is 3.1219Å 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 117.969 C1 C2 H8 117.969
C1 C3 H6 117.969 C1 C3 H9 117.969
C2 C1 H4 117.969 C2 C1 H7 117.969
C2 C3 H6 117.969 C2 C3 H9 117.969
C3 C1 H4 117.969 C3 C1 H7 117.969
C3 C2 H5 117.969 C3 C2 H8 117.969
H4 C1 H7 114.421 H5 C2 H8 114.421
H6 C3 H9 114.421

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