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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/3-21G*


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8843 0.0000   0.8843 0.0000 0.0000
C2 0.7658 -0.4421 0.0000   -0.4421 0.7658 0.0000
C3 -0.7658 -0.4421 0.0000   -0.4421 -0.7658 0.0000
H4 0.0000 1.4694 0.9220   1.4694 0.0000 0.9220
H5 1.2726 -0.7347 0.9220   -0.7347 1.2726 0.9220
H6 -1.2726 -0.7347 0.9220   -0.7347 -1.2726 0.9220
H7 0.0000 1.4694 -0.9220   1.4694 0.0000 -0.9220
H8 1.2726 -0.7347 -0.9220   -0.7347 1.2726 -0.9220
H9 -1.2726 -0.7347 -0.9220   -0.7347 -1.2726 -0.9220
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5316 1.5316 1.0920 2.2563 2.2563 1.0920 2.2563 2.2563
C2 1.5316 1.5316 2.2563 1.0920 2.2563 2.2563 1.0920 2.2563
C3 1.5316 1.5316 2.2563 2.2563 1.0920 2.2563 2.2563 1.0920
H4 1.0920 2.2563 2.2563 2.5451 2.5451 1.8440 3.1429 3.1429
H5 2.2563 1.0920 2.2563 2.5451 2.5451 3.1429 1.8440 3.1429
H6 2.2563 2.2563 1.0920 2.5451 2.5451 3.1429 3.1429 1.8440
H7 1.0920 2.2563 2.2563 1.8440 3.1429 3.1429 2.5451 2.5451
H8 2.2563 1.0920 2.2563 3.1429 1.8440 3.1429 2.5451 2.5451
H9 2.2563 2.2563 1.0920 3.1429 3.1429 1.8440 2.5451 2.5451
Maximum atom distance is 3.1429Å 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 117.649 C1 C2 H8 117.649
C1 C3 H6 117.649 C1 C3 H9 117.649
C2 C1 H4 117.649 C2 C1 H7 117.649
C2 C3 H6 117.649 C2 C3 H9 117.649
C3 C1 H4 117.649 C3 C1 H7 117.649
C3 C2 H5 117.649 C3 C2 H8 117.649
H4 C1 H7 115.198 H5 C2 H8 115.198
H6 C3 H9 115.198

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