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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/aug-cc-pVDZ


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8752 0.0000   0.7828 0.3914 0.0000
C2 0.7579 -0.4376 0.0000   -0.7303 0.4822 0.0000
C3 -0.7579 -0.4376 0.0000   -0.0524 -0.8736 0.0000
H4 0.0000 1.4701 0.9215   1.3149 0.6574 0.9215
H5 1.2731 -0.7350 0.9215   -1.2268 0.8100 0.9215
H6 -1.2731 -0.7350 0.9215   -0.0881 -1.4674 0.9215
H7 0.0000 1.4701 -0.9215   1.3149 0.6574 -0.9215
H8 1.2731 -0.7350 -0.9215   -1.2268 0.8100 -0.9215
H9 -1.2731 -0.7350 -0.9215   -0.0881 -1.4674 -0.9215
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5158 1.5158 1.0968 2.2500 2.2500 1.0968 2.2500 2.2500
C2 1.5158 1.5158 2.2500 1.0968 2.2500 2.2500 1.0968 2.2500
C3 1.5158 1.5158 2.2500 2.2500 1.0968 2.2500 2.2500 1.0968
H4 1.0968 2.2500 2.2500 2.5462 2.5462 1.8429 3.1432 3.1432
H5 2.2500 1.0968 2.2500 2.5462 2.5462 3.1432 1.8429 3.1432
H6 2.2500 2.2500 1.0968 2.5462 2.5462 3.1432 3.1432 1.8429
H7 1.0968 2.2500 2.2500 1.8429 3.1432 3.1432 2.5462 2.5462
H8 2.2500 1.0968 2.2500 3.1432 1.8429 3.1432 2.5462 2.5462
H9 2.2500 2.2500 1.0968 3.1432 3.1432 1.8429 2.5462 2.5462
Maximum atom distance is 3.1432Å 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 118.017 C1 C2 H8 118.017
C1 C3 H6 118.017 C1 C3 H9 118.017
C2 C1 H4 118.017 C2 C1 H7 118.017
C2 C3 H6 118.017 C2 C3 H9 118.017
C3 C1 H4 118.017 C3 C1 H7 118.017
C3 C2 H5 118.017 C3 C2 H8 118.017
H4 C1 H7 114.306 H5 C2 H8 114.306
H6 C3 H9 114.306

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