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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=FULL/cc-pVQZ


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8639 0.0000   0.0000 0.8639 0.0000
C2 0.7481 -0.4319 0.0000   0.7481 -0.4319 0.0000
C3 -0.7481 -0.4319 0.0000   -0.7481 -0.4319 0.0000
H4 0.0000 1.4415 0.9067   0.0000 1.4415 0.9067
H5 1.2484 -0.7208 0.9067   1.2484 -0.7208 0.9067
H6 -1.2484 -0.7208 0.9067   -1.2484 -0.7208 0.9067
H7 0.0000 1.4415 -0.9067   0.0000 1.4415 -0.9067
H8 1.2484 -0.7208 -0.9067   1.2484 -0.7208 -0.9067
H9 -1.2484 -0.7208 -0.9067   -1.2484 -0.7208 -0.9067
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.4963 1.4963 1.0751 2.2117 2.2117 1.0751 2.2117 2.2117
C2 1.4963 1.4963 2.2117 1.0751 2.2117 2.2117 1.0751 2.2117
C3 1.4963 1.4963 2.2117 2.2117 1.0751 2.2117 2.2117 1.0751
H4 1.0751 2.2117 2.2117 2.4968 2.4968 1.8134 3.0858 3.0858
H5 2.2117 1.0751 2.2117 2.4968 2.4968 3.0858 1.8134 3.0858
H6 2.2117 2.2117 1.0751 2.4968 2.4968 3.0858 3.0858 1.8134
H7 1.0751 2.2117 2.2117 1.8134 3.0858 3.0858 2.4968 2.4968
H8 2.2117 1.0751 2.2117 3.0858 1.8134 3.0858 2.4968 2.4968
H9 2.2117 2.2117 1.0751 3.0858 3.0858 1.8134 2.4968 2.4968
Maximum atom distance is 3.0858Å 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 117.730 C1 C2 H8 117.730
C1 C3 H6 117.730 C1 C3 H9 117.730
C2 C1 H4 117.730 C2 C1 H7 117.730
C2 C3 H6 117.730 C2 C3 H9 117.730
C3 C1 H4 117.730 C3 C1 H7 117.730
C3 C2 H5 117.730 C3 C2 H8 117.730
H4 C1 H7 115.002 H5 C2 H8 115.002
H6 C3 H9 115.002

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