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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/Def2TZVPP


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8682 0.0000   0.8682 0.0000 0.0000
C2 0.7519 -0.4341 0.0000   -0.4341 0.7519 0.0000
C3 -0.7519 -0.4341 0.0000   -0.4341 -0.7519 0.0000
H4 0.0000 1.4519 0.9077   1.4519 0.0000 0.9077
H5 1.2573 -0.7259 0.9077   -0.7259 1.2573 0.9077
H6 -1.2573 -0.7259 0.9077   -0.7259 -1.2573 0.9077
H7 0.0000 1.4519 -0.9077   1.4519 0.0000 -0.9077
H8 1.2573 -0.7259 -0.9077   -0.7259 1.2573 -0.9077
H9 -1.2573 -0.7259 -0.9077   -0.7259 -1.2573 -0.9077
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5038 1.5038 1.0791 2.2240 2.2240 1.0791 2.2240 2.2240
C2 1.5038 1.5038 2.2240 1.0791 2.2240 2.2240 1.0791 2.2240
C3 1.5038 1.5038 2.2240 2.2240 1.0791 2.2240 2.2240 1.0791
H4 1.0791 2.2240 2.2240 2.5147 2.5147 1.8153 3.1014 3.1014
H5 2.2240 1.0791 2.2240 2.5147 2.5147 3.1014 1.8153 3.1014
H6 2.2240 2.2240 1.0791 2.5147 2.5147 3.1014 3.1014 1.8153
H7 1.0791 2.2240 2.2240 1.8153 3.1014 3.1014 2.5147 2.5147
H8 2.2240 1.0791 2.2240 3.1014 1.8153 3.1014 2.5147 2.5147
H9 2.2240 2.2240 1.0791 3.1014 3.1014 1.8153 2.5147 2.5147
Maximum atom distance is 3.1014Å 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 117.930 C1 C2 H8 117.930
C1 C3 H6 117.930 C1 C3 H9 117.930
C2 C1 H4 117.930 C2 C1 H7 117.930
C2 C3 H6 117.930 C2 C3 H9 117.930
C3 C1 H4 117.930 C3 C1 H7 117.930
C3 C2 H5 117.930 C3 C2 H8 117.930
H4 C1 H7 114.518 H5 C2 H8 114.518
H6 C3 H9 114.518

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