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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

BLYP/cc-pVDZ


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8796 0.0000   0.8796 0.0000 0.0000
C2 0.7617 -0.4398 0.0000   -0.4398 0.7617 0.0000
C3 -0.7617 -0.4398 0.0000   -0.4398 -0.7617 0.0000
H4 0.0000 1.4766 0.9237   1.4766 0.0000 0.9237
H5 1.2787 -0.7383 0.9237   -0.7383 1.2787 0.9237
H6 -1.2787 -0.7383 0.9237   -0.7383 -1.2787 0.9237
H7 0.0000 1.4766 -0.9237   1.4766 0.0000 -0.9237
H8 1.2787 -0.7383 -0.9237   -0.7383 1.2787 -0.9237
H9 -1.2787 -0.7383 -0.9237   -0.7383 -1.2787 -0.9237
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5234 1.5234 1.0998 2.2596 2.2596 1.0998 2.2596 2.2596
C2 1.5234 1.5234 2.2596 1.0998 2.2596 2.2596 1.0998 2.2596
C3 1.5234 1.5234 2.2596 2.2596 1.0998 2.2596 2.2596 1.0998
H4 1.0998 2.2596 2.2596 2.5575 2.5575 1.8474 3.1549 3.1549
H5 2.2596 1.0998 2.2596 2.5575 2.5575 3.1549 1.8474 3.1549
H6 2.2596 2.2596 1.0998 2.5575 2.5575 3.1549 3.1549 1.8474
H7 1.0998 2.2596 2.2596 1.8474 3.1549 3.1549 2.5575 2.5575
H8 2.2596 1.0998 2.2596 3.1549 1.8474 3.1549 2.5575 2.5575
H9 2.2596 2.2596 1.0998 3.1549 3.1549 1.8474 2.5575 2.5575
Maximum atom distance is 3.1549Å 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 118.040 C1 C2 H8 118.040
C1 C3 H6 118.040 C1 C3 H9 118.040
C2 C1 H4 118.040 C2 C1 H7 118.040
C2 C3 H6 118.040 C2 C3 H9 118.040
C3 C1 H4 118.040 C3 C1 H7 118.040
C3 C2 H5 118.040 C3 C2 H8 118.040
H4 C1 H7 114.249 H5 C2 H8 114.249
H6 C3 H9 114.249

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