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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

HSEh1PBE/3-21G


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8760 0.0000   -0.5968 0.6413 0.0000
C2 0.7587 -0.4380 0.0000   0.8538 0.1962 0.0000
C3 -0.7587 -0.4380 0.0000   -0.2569 -0.8375 0.0000
H4 0.0000 1.4576 0.9142   -0.9931 1.0670 0.9142
H5 1.2623 -0.7288 0.9142   1.4206 0.3265 0.9142
H6 -1.2623 -0.7288 0.9142   -0.4275 -1.3935 0.9142
H7 0.0000 1.4576 -0.9142   -0.9931 1.0670 -0.9142
H8 1.2623 -0.7288 -0.9142   1.4206 0.3265 -0.9142
H9 -1.2623 -0.7288 -0.9142   -0.4275 -1.3935 -0.9142
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5173 1.5173 1.0835 2.2371 2.2371 1.0835 2.2371 2.2371
C2 1.5173 1.5173 2.2371 1.0835 2.2371 2.2371 1.0835 2.2371
C3 1.5173 1.5173 2.2371 2.2371 1.0835 2.2371 2.2371 1.0835
H4 1.0835 2.2371 2.2371 2.5247 2.5247 1.8284 3.1172 3.1172
H5 2.2371 1.0835 2.2371 2.5247 2.5247 3.1172 1.8284 3.1172
H6 2.2371 2.2371 1.0835 2.5247 2.5247 3.1172 3.1172 1.8284
H7 1.0835 2.2371 2.2371 1.8284 3.1172 3.1172 2.5247 2.5247
H8 2.2371 1.0835 2.2371 3.1172 1.8284 3.1172 2.5247 2.5247
H9 2.2371 2.2371 1.0835 3.1172 3.1172 1.8284 2.5247 2.5247
Maximum atom distance is 3.1172Å 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 117.699 C1 C2 H8 117.699
C1 C3 H6 117.699 C1 C3 H9 117.699
C2 C1 H4 117.699 C2 C1 H7 117.699
C2 C3 H6 117.699 C2 C3 H9 117.699
C3 C1 H4 117.699 C3 C1 H7 117.699
C3 C2 H5 117.699 C3 C2 H8 117.699
H4 C1 H7 115.076 H5 C2 H8 115.076
H6 C3 H9 115.076

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