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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

B2PLYP=FULL/3-21G*


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8807 0.0000   0.8355 0.2785 0.0000
C2 0.7627 -0.4404 0.0000   -0.6590 0.5843 0.0000
C3 -0.7627 -0.4404 0.0000   -0.1766 -0.8629 0.0000
H4 0.0000 1.4618 0.9120   1.3868 0.4623 0.9120
H5 1.2659 -0.7309 0.9120   -1.0937 0.9698 0.9120
H6 -1.2659 -0.7309 0.9120   -0.2931 -1.4321 0.9120
H7 0.0000 1.4618 -0.9120   1.3868 0.4623 -0.9120
H8 1.2659 -0.7309 -0.9120   -1.0937 0.9698 -0.9120
H9 -1.2659 -0.7309 -0.9120   -0.2931 -1.4321 -0.9120
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5255 1.5255 1.0813 2.2431 2.2431 1.0813 2.2431 2.2431
C2 1.5255 1.5255 2.2431 1.0813 2.2431 2.2431 1.0813 2.2431
C3 1.5255 1.5255 2.2431 2.2431 1.0813 2.2431 2.2431 1.0813
H4 1.0813 2.2431 2.2431 2.5319 2.5319 1.8239 3.1204 3.1204
H5 2.2431 1.0813 2.2431 2.5319 2.5319 3.1204 1.8239 3.1204
H6 2.2431 2.2431 1.0813 2.5319 2.5319 3.1204 3.1204 1.8239
H7 1.0813 2.2431 2.2431 1.8239 3.1204 3.1204 2.5319 2.5319
H8 2.2431 1.0813 2.2431 3.1204 1.8239 3.1204 2.5319 2.5319
H9 2.2431 2.2431 1.0813 3.1204 3.1204 1.8239 2.5319 2.5319
Maximum atom distance is 3.1204Å 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 117.732 C1 C2 H8 117.732
C1 C3 H6 117.732 C1 C3 H9 117.732
C2 C1 H4 117.732 C2 C1 H7 117.732
C2 C3 H6 117.732 C2 C3 H9 117.732
C3 C1 H4 117.732 C3 C1 H7 117.732
C3 C2 H5 117.732 C3 C2 H8 117.732
H4 C1 H7 114.996 H5 C2 H8 114.996
H6 C3 H9 114.996

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