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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

MP2/LANL2DZ


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8959 0.0000   0.0000 0.8959 0.0000
C2 0.7759 -0.4480 0.0000   0.7759 -0.4480 0.0000
C3 -0.7759 -0.4480 0.0000   -0.7759 -0.4480 0.0000
H4 0.0000 1.4865 0.9202   0.0000 1.4865 0.9202
H5 1.2874 -0.7433 0.9202   1.2874 -0.7433 0.9202
H6 -1.2874 -0.7433 0.9202   -1.2874 -0.7433 0.9202
H7 0.0000 1.4865 -0.9202   0.0000 1.4865 -0.9202
H8 1.2874 -0.7433 -0.9202   1.2874 -0.7433 -0.9202
H9 -1.2874 -0.7433 -0.9202   -1.2874 -0.7433 -0.9202
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5518 1.5518 1.0934 2.2784 2.2784 1.0934 2.2784 2.2784
C2 1.5518 1.5518 2.2784 1.0934 2.2784 2.2784 1.0934 2.2784
C3 1.5518 1.5518 2.2784 2.2784 1.0934 2.2784 2.2784 1.0934
H4 1.0934 2.2784 2.2784 2.5748 2.5748 1.8404 3.1649 3.1649
H5 2.2784 1.0934 2.2784 2.5748 2.5748 3.1649 1.8404 3.1649
H6 2.2784 2.2784 1.0934 2.5748 2.5748 3.1649 3.1649 1.8404
H7 1.0934 2.2784 2.2784 1.8404 3.1649 3.1649 2.5748 2.5748
H8 2.2784 1.0934 2.2784 3.1649 1.8404 3.1649 2.5748 2.5748
H9 2.2784 2.2784 1.0934 3.1649 3.1649 1.8404 2.5748 2.5748
Maximum atom distance is 3.1649Å 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 117.889 C1 C2 H8 117.889
C1 C3 H6 117.889 C1 C3 H9 117.889
C2 C1 H4 117.889 C2 C1 H7 117.889
C2 C3 H6 117.889 C2 C3 H9 117.889
C3 C1 H4 117.889 C3 C1 H7 117.889
C3 C2 H5 117.889 C3 C2 H8 117.889
H4 C1 H7 114.615 H5 C2 H8 114.615
H6 C3 H9 114.615

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