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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/aug-cc-pVTZ


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8687 0.0000   0.8687 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 1.4552 0.9096   1.4552 0.0000 0.9096
H5 1.2602 -0.7276 0.9096   -0.7276 1.2602 0.9096
H6 -1.2602 -0.7276 0.9096   -0.7276 -1.2602 0.9096
H7 0.0000 1.4552 -0.9096   1.4552 0.0000 -0.9096
H8 1.2602 -0.7276 -0.9096   -0.7276 1.2602 -0.9096
H9 -1.2602 -0.7276 -0.9096   -0.7276 -1.2602 -0.9096
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5047 1.5047 1.0823 2.2280 2.2280 1.0823 2.2280 2.2280
C2 1.5047 1.5047 2.2280 1.0823 2.2280 2.2280 1.0823 2.2280
C3 1.5047 1.5047 2.2280 2.2280 1.0823 2.2280 2.2280 1.0823
H4 1.0823 2.2280 2.2280 2.5205 2.5205 1.8192 3.1084 3.1084
H5 2.2280 1.0823 2.2280 2.5205 2.5205 3.1084 1.8192 3.1084
H6 2.2280 2.2280 1.0823 2.5205 2.5205 3.1084 3.1084 1.8192
H7 1.0823 2.2280 2.2280 1.8192 3.1084 3.1084 2.5205 2.5205
H8 2.2280 1.0823 2.2280 3.1084 1.8192 3.1084 2.5205 2.5205
H9 2.2280 2.2280 1.0823 3.1084 3.1084 1.8192 2.5205 2.5205
Maximum atom distance is 3.1084Å 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 117.987 C1 C2 H8 117.987
C1 C3 H6 117.987 C1 C3 H9 117.987
C2 C1 H4 117.987 C2 C1 H7 117.987
C2 C3 H6 117.987 C2 C3 H9 117.987
C3 C1 H4 117.987 C3 C1 H7 117.987
C3 C2 H5 117.987 C3 C2 H8 117.987
H4 C1 H7 114.378 H5 C2 H8 114.378
H6 C3 H9 114.378

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