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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/cc-pVDZ


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8743 0.0000   0.0000 0.8743 0.0000
C2 0.7572 -0.4372 0.0000   0.7572 -0.4372 0.0000
C3 -0.7572 -0.4372 0.0000   -0.7572 -0.4372 0.0000
H4 0.0000 1.4627 0.9214   0.0000 1.4627 0.9214
H5 1.2667 -0.7313 0.9214   1.2667 -0.7313 0.9214
H6 -1.2667 -0.7313 0.9214   -1.2667 -0.7313 0.9214
H7 0.0000 1.4627 -0.9214   0.0000 1.4627 -0.9214
H8 1.2667 -0.7313 -0.9214   1.2667 -0.7313 -0.9214
H9 -1.2667 -0.7313 -0.9214   -1.2667 -0.7313 -0.9214
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5143 1.5143 1.0932 2.2431 2.2431 1.0932 2.2431 2.2431
C2 1.5143 1.5143 2.2431 1.0932 2.2431 2.2431 1.0932 2.2431
C3 1.5143 1.5143 2.2431 2.2431 1.0932 2.2431 2.2431 1.0932
H4 1.0932 2.2431 2.2431 2.5335 2.5335 1.8427 3.1327 3.1327
H5 2.2431 1.0932 2.2431 2.5335 2.5335 3.1327 1.8427 3.1327
H6 2.2431 2.2431 1.0932 2.5335 2.5335 3.1327 3.1327 1.8427
H7 1.0932 2.2431 2.2431 1.8427 3.1327 3.1327 2.5335 2.5335
H8 2.2431 1.0932 2.2431 3.1327 1.8427 3.1327 2.5335 2.5335
H9 2.2431 2.2431 1.0932 3.1327 3.1327 1.8427 2.5335 2.5335
Maximum atom distance is 3.1327Å between atoms H5 and H9.
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 117.782 C1 C2 H8 117.782
C1 C3 H6 117.782 C1 C3 H9 117.782
C2 C1 H4 117.782 C2 C1 H7 117.782
C2 C3 H6 117.782 C2 C3 H9 117.782
C3 C1 H4 117.782 C3 C1 H7 117.782
C3 C2 H5 117.782 C3 C2 H8 117.782
H4 C1 H7 114.875 H5 C2 H8 114.875
H6 C3 H9 114.875

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