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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

PBE1PBE/6-31G**


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8667 0.0000   0.0000 0.8667 0.0000
C2 0.7506 -0.4333 0.0000   0.7506 -0.4333 0.0000
C3 -0.7506 -0.4333 0.0000   -0.7506 -0.4333 0.0000
H4 0.0000 1.4580 0.9114   0.0000 1.4580 0.9114
H5 1.2626 -0.7290 0.9114   1.2626 -0.7290 0.9114
H6 -1.2626 -0.7290 0.9114   -1.2626 -0.7290 0.9114
H7 0.0000 1.4580 -0.9114   0.0000 1.4580 -0.9114
H8 1.2626 -0.7290 -0.9114   1.2626 -0.7290 -0.9114
H9 -1.2626 -0.7290 -0.9114   -1.2626 -0.7290 -0.9114
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5011 1.5011 1.0864 2.2296 2.2296 1.0864 2.2296 2.2296
C2 1.5011 1.5011 2.2296 1.0864 2.2296 2.2296 1.0864 2.2296
C3 1.5011 1.5011 2.2296 2.2296 1.0864 2.2296 2.2296 1.0864
H4 1.0864 2.2296 2.2296 2.5253 2.5253 1.8228 3.1144 3.1144
H5 2.2296 1.0864 2.2296 2.5253 2.5253 3.1144 1.8228 3.1144
H6 2.2296 2.2296 1.0864 2.5253 2.5253 3.1144 3.1144 1.8228
H7 1.0864 2.2296 2.2296 1.8228 3.1144 3.1144 2.5253 2.5253
H8 2.2296 1.0864 2.2296 3.1144 1.8228 3.1144 2.5253 2.5253
H9 2.2296 2.2296 1.0864 3.1144 3.1144 1.8228 2.5253 2.5253
Maximum atom distance is 3.1144Å 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 118.122 C1 C2 H8 118.122
C1 C3 H6 118.122 C1 C3 H9 118.122
C2 C1 H4 118.122 C2 C1 H7 118.122
C2 C3 H6 118.122 C2 C3 H9 118.122
C3 C1 H4 118.122 C3 C1 H7 118.122
C3 C2 H5 118.122 C3 C2 H8 118.122
H4 C1 H7 114.051 H5 C2 H8 114.051
H6 C3 H9 114.051

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