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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

M06-2X/6-311+G(3df,2p)


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8655 0.0000   0.8487 0.1698 0.0000
C2 0.7496 -0.4328 0.0000   -0.5714 0.6502 0.0000
C3 -0.7496 -0.4328 0.0000   -0.2774 -0.8199 0.0000
H4 0.0000 1.4488 0.9087   1.4207 0.2841 0.9087
H5 1.2547 -0.7244 0.9087   -0.9564 1.0883 0.9087
H6 -1.2547 -0.7244 0.9087   -0.4643 -1.3724 0.9087
H7 0.0000 1.4488 -0.9087   1.4207 0.2841 -0.9087
H8 1.2547 -0.7244 -0.9087   -0.9564 1.0883 -0.9087
H9 -1.2547 -0.7244 -0.9087   -0.4643 -1.3724 -0.9087
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.4992 1.4992 1.0798 2.2199 2.2199 1.0798 2.2199 2.2199
C2 1.4992 1.4992 2.2199 1.0798 2.2199 2.2199 1.0798 2.2199
C3 1.4992 1.4992 2.2199 2.2199 1.0798 2.2199 2.2199 1.0798
H4 1.0798 2.2199 2.2199 2.5094 2.5094 1.8174 3.0984 3.0984
H5 2.2199 1.0798 2.2199 2.5094 2.5094 3.0984 1.8174 3.0984
H6 2.2199 2.2199 1.0798 2.5094 2.5094 3.0984 3.0984 1.8174
H7 1.0798 2.2199 2.2199 1.8174 3.0984 3.0984 2.5094 2.5094
H8 2.2199 1.0798 2.2199 3.0984 1.8174 3.0984 2.5094 2.5094
H9 2.2199 2.2199 1.0798 3.0984 3.0984 1.8174 2.5094 2.5094
Maximum atom distance is 3.0984Å 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 117.891 C1 C2 H8 117.891
C1 C3 H6 117.891 C1 C3 H9 117.891
C2 C1 H4 117.891 C2 C1 H7 117.891
C2 C3 H6 117.891 C2 C3 H9 117.891
C3 C1 H4 117.891 C3 C1 H7 117.891
C3 C2 H5 117.891 C3 C2 H8 117.891
H4 C1 H7 114.610 H5 C2 H8 114.610
H6 C3 H9 114.610

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