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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

MP2=FULL/cc-pVDZ


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8735 0.0000   0.6349 0.5999 0.0000
C2 0.7565 -0.4367 0.0000   -0.8370 0.2499 0.0000
C3 -0.7565 -0.4367 0.0000   0.2021 -0.8498 0.0000
H4 0.0000 1.4614 0.9205   1.0622 1.0037 0.9205
H5 1.2656 -0.7307 0.9205   -1.4003 0.4181 0.9205
H6 -1.2656 -0.7307 0.9205   0.3381 -1.4218 0.9205
H7 0.0000 1.4614 -0.9205   1.0622 1.0037 -0.9205
H8 1.2656 -0.7307 -0.9205   -1.4003 0.4181 -0.9205
H9 -1.2656 -0.7307 -0.9205   0.3381 -1.4218 -0.9205
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5129 1.5129 1.0922 2.2411 2.2411 1.0922 2.2411 2.2411
C2 1.5129 1.5129 2.2411 1.0922 2.2411 2.2411 1.0922 2.2411
C3 1.5129 1.5129 2.2411 2.2411 1.0922 2.2411 2.2411 1.0922
H4 1.0922 2.2411 2.2411 2.5313 2.5313 1.8410 3.1299 3.1299
H5 2.2411 1.0922 2.2411 2.5313 2.5313 3.1299 1.8410 3.1299
H6 2.2411 2.2411 1.0922 2.5313 2.5313 3.1299 3.1299 1.8410
H7 1.0922 2.2411 2.2411 1.8410 3.1299 3.1299 2.5313 2.5313
H8 2.2411 1.0922 2.2411 3.1299 1.8410 3.1299 2.5313 2.5313
H9 2.2411 2.2411 1.0922 3.1299 3.1299 1.8410 2.5313 2.5313
Maximum atom distance is 3.1299Å 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 117.786 C1 C2 H8 117.786
C1 C3 H6 117.786 C1 C3 H9 117.786
C2 C1 H4 117.786 C2 C1 H7 117.786
C2 C3 H6 117.786 C2 C3 H9 117.786
C3 C1 H4 117.786 C3 C1 H7 117.786
C3 C2 H5 117.786 C3 C2 H8 117.786
H4 C1 H7 114.867 H5 C2 H8 114.867
H6 C3 H9 114.867

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