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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

HSEh1PBE/6-31G


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8722 0.0000   -0.1527 0.8587 0.0000
C2 0.7553 -0.4361 0.0000   0.8200 -0.2971 0.0000
C3 -0.7553 -0.4361 0.0000   -0.6673 -0.5616 0.0000
H4 0.0000 1.4652 0.9080   -0.2565 1.4426 0.9080
H5 1.2689 -0.7326 0.9080   1.3776 -0.4992 0.9080
H6 -1.2689 -0.7326 0.9080   -1.1211 -0.9434 0.9080
H7 0.0000 1.4652 -0.9080   -0.2565 1.4426 -0.9080
H8 1.2689 -0.7326 -0.9080   1.3776 -0.4992 -0.9080
H9 -1.2689 -0.7326 -0.9080   -1.1211 -0.9434 -0.9080
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5107 1.5107 1.0845 2.2383 2.2383 1.0845 2.2383 2.2383
C2 1.5107 1.5107 2.2383 1.0845 2.2383 2.2383 1.0845 2.2383
C3 1.5107 1.5107 2.2383 2.2383 1.0845 2.2383 2.2383 1.0845
H4 1.0845 2.2383 2.2383 2.5379 2.5379 1.8161 3.1207 3.1207
H5 2.2383 1.0845 2.2383 2.5379 2.5379 3.1207 1.8161 3.1207
H6 2.2383 2.2383 1.0845 2.5379 2.5379 3.1207 3.1207 1.8161
H7 1.0845 2.2383 2.2383 1.8161 3.1207 3.1207 2.5379 2.5379
H8 2.2383 1.0845 2.2383 3.1207 1.8161 3.1207 2.5379 2.5379
H9 2.2383 2.2383 1.0845 3.1207 3.1207 1.8161 2.5379 2.5379
Maximum atom distance is 3.1207Å between atoms H4 and H8.
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 118.266 C1 C2 H8 118.266
C1 C3 H6 118.266 C1 C3 H9 118.266
C2 C1 H4 118.266 C2 C1 H7 118.266
C2 C3 H6 118.266 C2 C3 H9 118.266
C3 C1 H4 118.266 C3 C1 H7 118.266
C3 C2 H5 118.266 C3 C2 H8 118.266
H4 C1 H7 113.702 H5 C2 H8 113.702
H6 C3 H9 113.702

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