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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

G3
This model chemistry uses a geometry from MP2=FULL/6-31G*


Point group is D3h
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.8670 0.0000
C2 0.7509 -0.4335 0.0000
C3 -0.7509 -0.4335 0.0000
H4 0.0000 1.4559 0.9105
H5 1.2608 -0.7279 0.9105
H6 -1.2608 -0.7279 0.9105
H7 0.0000 1.4559 -0.9105
H8 1.2608 -0.7279 -0.9105
H9 -1.2608 -0.7279 -0.9105
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5017 1.5017 1.0843 2.2277 2.2277 1.0843 2.2277 2.2277
C2 1.5017 1.5017 2.2277 1.0843 2.2277 2.2277 1.0843 2.2277
C3 1.5017 1.5017 2.2277 2.2277 1.0843 2.2277 2.2277 1.0843
H4 1.0843 2.2277 2.2277 2.5216 2.5216 1.8209 3.1104 3.1104
H5 2.2277 1.0843 2.2277 2.5216 2.5216 3.1104 1.8209 3.1104
H6 2.2277 2.2277 1.0843 2.5216 2.5216 3.1104 3.1104 1.8209
H7 1.0843 2.2277 2.2277 1.8209 3.1104 3.1104 2.5216 2.5216
H8 2.2277 1.0843 2.2277 3.1104 1.8209 3.1104 2.5216 2.5216
H9 2.2277 2.2277 1.0843 3.1104 3.1104 1.8209 2.5216 2.5216
Maximum atom distance is 3.1104Å between atoms H4 and H8.
picture of Cyclopropane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle

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