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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

CCSD/TZVP


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8694 0.0000   0.8694 0.0000 0.0000
C2 0.7529 -0.4347 0.0000   -0.4347 0.7529 0.0000
C3 -0.7529 -0.4347 0.0000   -0.4347 -0.7529 0.0000
H4 0.0000 1.4527 0.9109   1.4527 0.0000 0.9109
H5 1.2580 -0.7263 0.9109   -0.7263 1.2580 0.9109
H6 -1.2580 -0.7263 0.9109   -0.7263 -1.2580 0.9109
H7 0.0000 1.4527 -0.9109   1.4527 0.0000 -0.9109
H8 1.2580 -0.7263 -0.9109   -0.7263 1.2580 -0.9109
H9 -1.2580 -0.7263 -0.9109   -0.7263 -1.2580 -0.9109
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5058 1.5058 1.0817 2.2268 2.2268 1.0817 2.2268 2.2268
C2 1.5058 1.5058 2.2268 1.0817 2.2268 2.2268 1.0817 2.2268
C3 1.5058 1.5058 2.2268 2.2268 1.0817 2.2268 2.2268 1.0817
H4 1.0817 2.2268 2.2268 2.5161 2.5161 1.8218 3.1064 3.1064
H5 2.2268 1.0817 2.2268 2.5161 2.5161 3.1064 1.8218 3.1064
H6 2.2268 2.2268 1.0817 2.5161 2.5161 3.1064 3.1064 1.8218
H7 1.0817 2.2268 2.2268 1.8218 3.1064 3.1064 2.5161 2.5161
H8 2.2268 1.0817 2.2268 3.1064 1.8218 3.1064 2.5161 2.5161
H9 2.2268 2.2268 1.0817 3.1064 3.1064 1.8218 2.5161 2.5161
Maximum atom distance is 3.1064Å 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 117.840 C1 C2 H8 117.840
C1 C3 H6 117.840 C1 C3 H9 117.840
C2 C1 H4 117.839 C2 C1 H7 117.839
C2 C3 H6 117.839 C2 C3 H9 117.839
C3 C1 H4 117.839 C3 C1 H7 117.839
C3 C2 H5 117.839 C3 C2 H8 117.839
H4 C1 H7 114.736 H5 C2 H8 114.736
H6 C3 H9 114.736

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