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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

B3PW91/cc-pVDZ


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8693 0.0000   0.8693 0.0000 0.0000
C2 0.7529 -0.4347 0.0000   -0.4347 0.7529 0.0000
C3 -0.7529 -0.4347 0.0000   -0.4347 -0.7529 0.0000
H4 0.0000 1.4630 0.9172   1.4630 0.0000 0.9172
H5 1.2670 -0.7315 0.9172   -0.7315 1.2670 0.9172
H6 -1.2670 -0.7315 0.9172   -0.7315 -1.2670 0.9172
H7 0.0000 1.4630 -0.9172   1.4630 0.0000 -0.9172
H8 1.2670 -0.7315 -0.9172   -0.7315 1.2670 -0.9172
H9 -1.2670 -0.7315 -0.9172   -0.7315 -1.2670 -0.9172
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5057 1.5057 1.0926 2.2381 2.2381 1.0926 2.2381 2.2381
C2 1.5057 1.5057 2.2381 1.0926 2.2381 2.2381 1.0926 2.2381
C3 1.5057 1.5057 2.2381 2.2381 1.0926 2.2381 2.2381 1.0926
H4 1.0926 2.2381 2.2381 2.5340 2.5340 1.8345 3.1283 3.1283
H5 2.2381 1.0926 2.2381 2.5340 2.5340 3.1283 1.8345 3.1283
H6 2.2381 2.2381 1.0926 2.5340 2.5340 3.1283 3.1283 1.8345
H7 1.0926 2.2381 2.2381 1.8345 3.1283 3.1283 2.5340 2.5340
H8 2.2381 1.0926 2.2381 3.1283 1.8345 3.1283 2.5340 2.5340
H9 2.2381 2.2381 1.0926 3.1283 3.1283 1.8345 2.5340 2.5340
Maximum atom distance is 3.1283Å 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 118.071 C1 C2 H8 118.071
C1 C3 H6 118.071 C1 C3 H9 118.071
C2 C1 H4 118.071 C2 C1 H7 118.071
C2 C3 H6 118.071 C2 C3 H9 118.071
C3 C1 H4 118.071 C3 C1 H7 118.071
C3 C2 H5 118.071 C3 C2 H8 118.071
H4 C1 H7 114.174 H5 C2 H8 114.174
H6 C3 H9 114.174

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