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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

B97D3/6-31G*


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8720 0.0000   0.0000 0.8720 0.0000
C2 0.7551 -0.4360 0.0000   0.7551 -0.4360 0.0000
C3 -0.7551 -0.4360 0.0000   -0.7551 -0.4360 0.0000
H4 0.0000 1.4655 0.9151   0.0000 1.4655 0.9151
H5 1.2692 -0.7328 0.9151   1.2692 -0.7328 0.9151
H6 -1.2692 -0.7328 0.9151   -1.2692 -0.7328 0.9151
H7 0.0000 1.4655 -0.9151   0.0000 1.4655 -0.9151
H8 1.2692 -0.7328 -0.9151   1.2692 -0.7328 -0.9151
H9 -1.2692 -0.7328 -0.9151   -1.2692 -0.7328 -0.9151
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5103 1.5103 1.0907 2.2413 2.2413 1.0907 2.2413 2.2413
C2 1.5103 1.5103 2.2413 1.0907 2.2413 2.2413 1.0907 2.2413
C3 1.5103 1.5103 2.2413 2.2413 1.0907 2.2413 2.2413 1.0907
H4 1.0907 2.2413 2.2413 2.5384 2.5384 1.8302 3.1294 3.1294
H5 2.2413 1.0907 2.2413 2.5384 2.5384 3.1294 1.8302 3.1294
H6 2.2413 2.2413 1.0907 2.5384 2.5384 3.1294 3.1294 1.8302
H7 1.0907 2.2413 2.2413 1.8302 3.1294 3.1294 2.5384 2.5384
H8 2.2413 1.0907 2.2413 3.1294 1.8302 3.1294 2.5384 2.5384
H9 2.2413 2.2413 1.0907 3.1294 3.1294 1.8302 2.5384 2.5384
Maximum atom distance is 3.1294Å 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 118.118 C1 C2 H8 118.118
C1 C3 H6 118.118 C1 C3 H9 118.118
C2 C1 H4 118.118 C2 C1 H7 118.118
C2 C3 H6 118.118 C2 C3 H9 118.118
C3 C1 H4 118.118 C3 C1 H7 118.118
C3 C2 H5 118.118 C3 C2 H8 118.118
H4 C1 H7 114.060 H5 C2 H8 114.060
H6 C3 H9 114.060

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