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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

B97D3/TZVP


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8703 0.0000   -0.1888 0.8495 0.0000
C2 0.7537 -0.4351 0.0000   0.8301 -0.2613 0.0000
C3 -0.7537 -0.4351 0.0000   -0.6413 -0.5883 0.0000
H4 0.0000 1.4595 0.9128   -0.3166 1.4248 0.9128
H5 1.2640 -0.7298 0.9128   1.3922 -0.4382 0.9128
H6 -1.2640 -0.7298 0.9128   -1.0756 -0.9866 0.9128
H7 0.0000 1.4595 -0.9128   -0.3166 1.4248 -0.9128
H8 1.2640 -0.7298 -0.9128   1.3922 -0.4382 -0.9128
H9 -1.2640 -0.7298 -0.9128   -1.0756 -0.9866 -0.9128
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5073 1.5073 1.0865 2.2340 2.2340 1.0865 2.2340 2.2340
C2 1.5073 1.5073 2.2340 1.0865 2.2340 2.2340 1.0865 2.2340
C3 1.5073 1.5073 2.2340 2.2340 1.0865 2.2340 2.2340 1.0865
H4 1.0865 2.2340 2.2340 2.5279 2.5279 1.8257 3.1183 3.1183
H5 2.2340 1.0865 2.2340 2.5279 2.5279 3.1183 1.8257 3.1183
H6 2.2340 2.2340 1.0865 2.5279 2.5279 3.1183 3.1183 1.8257
H7 1.0865 2.2340 2.2340 1.8257 3.1183 3.1183 2.5279 2.5279
H8 2.2340 1.0865 2.2340 3.1183 1.8257 3.1183 2.5279 2.5279
H9 2.2340 2.2340 1.0865 3.1183 3.1183 1.8257 2.5279 2.5279
Maximum atom distance is 3.1183Å 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 118.013 C1 C2 H8 118.013
C1 C3 H6 118.013 C1 C3 H9 118.013
C2 C1 H4 118.013 C2 C1 H7 118.013
C2 C3 H6 118.013 C2 C3 H9 118.013
C3 C1 H4 118.013 C3 C1 H7 118.013
C3 C2 H5 118.013 C3 C2 H8 118.013
H4 C1 H7 114.315 H5 C2 H8 114.315
H6 C3 H9 114.315

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