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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

TPSSh/6-311+G(3df,2p)


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8688 0.0000   0.8688 0.0000 0.0000
C2 0.7524 -0.4344 0.0000   -0.4344 0.7524 0.0000
C3 -0.7524 -0.4344 0.0000   -0.4344 -0.7524 0.0000
H4 0.0000 1.4560 0.9091   1.4560 0.0000 0.9091
H5 1.2610 -0.7280 0.9091   -0.7280 1.2610 0.9091
H6 -1.2610 -0.7280 0.9091   -0.7280 -1.2610 0.9091
H7 0.0000 1.4560 -0.9091   1.4560 0.0000 -0.9091
H8 1.2610 -0.7280 -0.9091   -0.7280 1.2610 -0.9091
H9 -1.2610 -0.7280 -0.9091   -0.7280 -1.2610 -0.9091
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5048 1.5048 1.0823 2.2286 2.2286 1.0823 2.2286 2.2286
C2 1.5048 1.5048 2.2286 1.0823 2.2286 2.2286 1.0823 2.2286
C3 1.5048 1.5048 2.2286 2.2286 1.0823 2.2286 2.2286 1.0823
H4 1.0823 2.2286 2.2286 2.5219 2.5219 1.8183 3.1091 3.1091
H5 2.2286 1.0823 2.2286 2.5219 2.5219 3.1091 1.8183 3.1091
H6 2.2286 2.2286 1.0823 2.5219 2.5219 3.1091 3.1091 1.8183
H7 1.0823 2.2286 2.2286 1.8183 3.1091 3.1091 2.5219 2.5219
H8 2.2286 1.0823 2.2286 3.1091 1.8183 3.1091 2.5219 2.5219
H9 2.2286 2.2286 1.0823 3.1091 3.1091 1.8183 2.5219 2.5219
Maximum atom distance is 3.1091Å 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 118.026 C1 C2 H8 118.026
C1 C3 H6 118.026 C1 C3 H9 118.026
C2 C1 H4 118.026 C2 C1 H7 118.026
C2 C3 H6 118.026 C2 C3 H9 118.026
C3 C1 H4 118.026 C3 C1 H7 118.026
C3 C2 H5 118.026 C3 C2 H8 118.026
H4 C1 H7 114.284 H5 C2 H8 114.284
H6 C3 H9 114.284

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