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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

MP4=FULL/cc-pVTZ


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8685 0.0000   0.8685 0.0000 0.0000
C2 0.7522 -0.4343 0.0000   -0.4343 0.7522 0.0000
C3 -0.7522 -0.4343 0.0000   -0.4343 -0.7522 0.0000
H4 0.0000 1.4478 0.9080   1.4478 0.0000 0.9080
H5 1.2538 -0.7239 0.9080   -0.7239 1.2538 0.9080
H6 -1.2538 -0.7239 0.9080   -0.7239 -1.2538 0.9080
H7 0.0000 1.4478 -0.9080   1.4478 0.0000 -0.9080
H8 1.2538 -0.7239 -0.9080   -0.7239 1.2538 -0.9080
H9 -1.2538 -0.7239 -0.9080   -0.7239 -1.2538 -0.9080
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5043 1.5043 1.0770 2.2209 2.2209 1.0770 2.2209 2.2209
C2 1.5043 1.5043 2.2209 1.0770 2.2209 2.2209 1.0770 2.2209
C3 1.5043 1.5043 2.2209 2.2209 1.0770 2.2209 2.2209 1.0770
H4 1.0770 2.2209 2.2209 2.5076 2.5076 1.8159 3.0961 3.0961
H5 2.2209 1.0770 2.2209 2.5076 2.5076 3.0961 1.8159 3.0961
H6 2.2209 2.2209 1.0770 2.5076 2.5076 3.0961 3.0961 1.8159
H7 1.0770 2.2209 2.2209 1.8159 3.0961 3.0961 2.5076 2.5076
H8 2.2209 1.0770 2.2209 3.0961 1.8159 3.0961 2.5076 2.5076
H9 2.2209 2.2209 1.0770 3.0961 3.0961 1.8159 2.5076 2.5076
Maximum atom distance is 3.0961Å 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 117.761 C1 C2 H8 117.761
C1 C3 H6 117.761 C1 C3 H9 117.761
C2 C1 H4 117.761 C2 C1 H7 117.761
C2 C3 H6 117.761 C2 C3 H9 117.761
C3 C1 H4 117.761 C3 C1 H7 117.761
C3 C2 H5 117.761 C3 C2 H8 117.761
H4 C1 H7 114.926 H5 C2 H8 114.926
H6 C3 H9 114.926

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