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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

PBEPBE/6-31G*


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8734 0.0000   0.8734 0.0000 0.0000
C2 0.7564 -0.4367 0.0000   -0.4367 0.7564 0.0000
C3 -0.7564 -0.4367 0.0000   -0.4367 -0.7564 0.0000
H4 0.0000 1.4696 0.9178   1.4696 0.0000 0.9178
H5 1.2727 -0.7348 0.9178   -0.7348 1.2727 0.9178
H6 -1.2727 -0.7348 0.9178   -0.7348 -1.2727 0.9178
H7 0.0000 1.4696 -0.9178   1.4696 0.0000 -0.9178
H8 1.2727 -0.7348 -0.9178   -0.7348 1.2727 -0.9178
H9 -1.2727 -0.7348 -0.9178   -0.7348 -1.2727 -0.9178
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5128 1.5128 1.0944 2.2469 2.2469 1.0944 2.2469 2.2469
C2 1.5128 1.5128 2.2469 1.0944 2.2469 2.2469 1.0944 2.2469
C3 1.5128 1.5128 2.2469 2.2469 1.0944 2.2469 2.2469 1.0944
H4 1.0944 2.2469 2.2469 2.5455 2.5455 1.8356 3.1383 3.1383
H5 2.2469 1.0944 2.2469 2.5455 2.5455 3.1383 1.8356 3.1383
H6 2.2469 2.2469 1.0944 2.5455 2.5455 3.1383 3.1383 1.8356
H7 1.0944 2.2469 2.2469 1.8356 3.1383 3.1383 2.5455 2.5455
H8 2.2469 1.0944 2.2469 3.1383 1.8356 3.1383 2.5455 2.5455
H9 2.2469 2.2469 1.0944 3.1383 3.1383 1.8356 2.5455 2.5455
Maximum atom distance is 3.1383Å 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 118.150 C1 C2 H8 118.150
C1 C3 H6 118.150 C1 C3 H9 118.150
C2 C1 H4 118.150 C2 C1 H7 118.150
C2 C3 H6 118.150 C2 C3 H9 118.150
C3 C1 H4 118.150 C3 C1 H7 118.150
C3 C2 H5 118.150 C3 C2 H8 118.150
H4 C1 H7 113.982 H5 C2 H8 113.981
H6 C3 H9 113.981

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