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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

wB97X-D/6-31G**


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8685 0.0000   -0.6141 0.6141 0.0000
C2 0.7521 -0.4342 0.0000   0.8389 0.2248 0.0000
C3 -0.7521 -0.4342 0.0000   -0.2248 -0.8389 0.0000
H4 0.0000 1.4573 0.9112   -1.0305 1.0305 0.9112
H5 1.2621 -0.7287 0.9112   1.4077 0.3772 0.9112
H6 -1.2621 -0.7287 0.9112   -0.3772 -1.4077 0.9112
H7 0.0000 1.4573 -0.9112   -1.0305 1.0305 -0.9112
H8 1.2621 -0.7287 -0.9112   1.4077 0.3772 -0.9112
H9 -1.2621 -0.7287 -0.9112   -0.3772 -1.4077 -0.9112
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5043 1.5043 1.0849 2.2302 2.2302 1.0849 2.2302 2.2302
C2 1.5043 1.5043 2.2302 1.0849 2.2302 2.2302 1.0849 2.2302
C3 1.5043 1.5043 2.2302 2.2302 1.0849 2.2302 2.2302 1.0849
H4 1.0849 2.2302 2.2302 2.5242 2.5242 1.8224 3.1133 3.1133
H5 2.2302 1.0849 2.2302 2.5242 2.5242 3.1133 1.8224 3.1133
H6 2.2302 2.2302 1.0849 2.5242 2.5242 3.1133 3.1133 1.8224
H7 1.0849 2.2302 2.2302 1.8224 3.1133 3.1133 2.5242 2.5242
H8 2.2302 1.0849 2.2302 3.1133 1.8224 3.1133 2.5242 2.5242
H9 2.2302 2.2302 1.0849 3.1133 3.1133 1.8224 2.5242 2.5242
Maximum atom distance is 3.1133Å 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 118.037 C1 C2 H8 118.037
C1 C3 H6 118.037 C1 C3 H9 118.037
C2 C1 H4 118.037 C2 C1 H7 118.037
C2 C3 H6 118.037 C2 C3 H9 118.037
C3 C1 H4 118.037 C3 C1 H7 118.037
C3 C2 H5 118.037 C3 C2 H8 118.037
H4 C1 H7 114.257 H5 C2 H8 114.257
H6 C3 H9 114.257

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