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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

PBEPBE/Def2TZVPP


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8709 0.0000   0.0000 0.8709 0.0000
C2 0.7542 -0.4354 0.0000   0.7542 -0.4354 0.0000
C3 -0.7542 -0.4354 0.0000   -0.7542 -0.4354 0.0000
H4 0.0000 1.4620 0.9149   0.0000 1.4620 0.9149
H5 1.2662 -0.7310 0.9149   1.2662 -0.7310 0.9149
H6 -1.2662 -0.7310 0.9149   -1.2662 -0.7310 0.9149
H7 0.0000 1.4620 -0.9149   0.0000 1.4620 -0.9149
H8 1.2662 -0.7310 -0.9149   1.2662 -0.7310 -0.9149
H9 -1.2662 -0.7310 -0.9149   -1.2662 -0.7310 -0.9149
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5084 1.5084 1.0893 2.2375 2.2375 1.0893 2.2375 2.2375
C2 1.5084 1.5084 2.2375 1.0893 2.2375 2.2375 1.0893 2.2375
C3 1.5084 1.5084 2.2375 2.2375 1.0893 2.2375 2.2375 1.0893
H4 1.0893 2.2375 2.2375 2.5323 2.5323 1.8298 3.1242 3.1242
H5 2.2375 1.0893 2.2375 2.5323 2.5323 3.1242 1.8298 3.1242
H6 2.2375 2.2375 1.0893 2.5323 2.5323 3.1242 3.1242 1.8298
H7 1.0893 2.2375 2.2375 1.8298 3.1242 3.1242 2.5323 2.5323
H8 2.2375 1.0893 2.2375 3.1242 1.8298 3.1242 2.5323 2.5323
H9 2.2375 2.2375 1.0893 3.1242 3.1242 1.8298 2.5323 2.5323
Maximum atom distance is 3.1242Å 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 118.033 C1 C2 H8 118.033
C1 C3 H6 118.033 C1 C3 H9 118.033
C2 C1 H4 118.033 C2 C1 H7 118.033
C2 C3 H6 118.033 C2 C3 H9 118.033
C3 C1 H4 118.033 C3 C1 H7 118.033
C3 C2 H5 118.033 C3 C2 H8 118.033
H4 C1 H7 114.267 H5 C2 H8 114.267
H6 C3 H9 114.267

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