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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/6-31G**


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8733 0.0000   0.8733 0.0000 0.0000
C2 0.7563 -0.4366 0.0000   -0.4366 0.7563 0.0000
C3 -0.7563 -0.4366 0.0000   -0.4366 -0.7563 0.0000
H4 0.0000 1.4685 0.9172   1.4685 0.0000 0.9172
H5 1.2718 -0.7343 0.9172   -0.7343 1.2718 0.9172
H6 -1.2718 -0.7343 0.9172   -0.7343 -1.2718 0.9172
H7 0.0000 1.4685 -0.9172   1.4685 0.0000 -0.9172
H8 1.2718 -0.7343 -0.9172   -0.7343 1.2718 -0.9172
H9 -1.2718 -0.7343 -0.9172   -0.7343 -1.2718 -0.9172
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5126 1.5126 1.0934 2.2456 2.2456 1.0934 2.2456 2.2456
C2 1.5126 1.5126 2.2456 1.0934 2.2456 2.2456 1.0934 2.2456
C3 1.5126 1.5126 2.2456 2.2456 1.0934 2.2456 2.2456 1.0934
H4 1.0934 2.2456 2.2456 2.5436 2.5436 1.8343 3.1360 3.1360
H5 2.2456 1.0934 2.2456 2.5436 2.5436 3.1360 1.8343 3.1360
H6 2.2456 2.2456 1.0934 2.5436 2.5436 3.1360 3.1360 1.8343
H7 1.0934 2.2456 2.2456 1.8343 3.1360 3.1360 2.5436 2.5436
H8 2.2456 1.0934 2.2456 3.1360 1.8343 3.1360 2.5436 2.5436
H9 2.2456 2.2456 1.0934 3.1360 3.1360 1.8343 2.5436 2.5436
Maximum atom distance is 3.1360Å 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 118.130 C1 C2 H8 118.130
C1 C3 H6 118.130 C1 C3 H9 118.130
C2 C1 H4 118.130 C2 C1 H7 118.130
C2 C3 H6 118.130 C2 C3 H9 118.130
C3 C1 H4 118.130 C3 C1 H7 118.130
C3 C2 H5 118.130 C3 C2 H8 118.130
H4 C1 H7 114.030 H5 C2 H8 114.030
H6 C3 H9 114.030

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