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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

MP4/6-31G*


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8716 0.0000   0.8716 0.0000 0.0000
C2 0.7549 -0.4358 0.0000   -0.4358 0.7549 0.0000
C3 -0.7549 -0.4358 0.0000   -0.4358 -0.7549 0.0000
H4 0.0000 1.4637 0.9134   1.4637 0.0000 0.9134
H5 1.2676 -0.7318 0.9134   -0.7318 1.2676 0.9134
H6 -1.2676 -0.7318 0.9134   -0.7318 -1.2676 0.9134
H7 0.0000 1.4637 -0.9134   1.4637 0.0000 -0.9134
H8 1.2676 -0.7318 -0.9134   -0.7318 1.2676 -0.9134
H9 -1.2676 -0.7318 -0.9134   -0.7318 -1.2676 -0.9134
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5097 1.5097 1.0885 2.2388 2.2388 1.0885 2.2388 2.2388
C2 1.5097 1.5097 2.2388 1.0885 2.2388 2.2388 1.0885 2.2388
C3 1.5097 1.5097 2.2388 2.2388 1.0885 2.2388 2.2388 1.0885
H4 1.0885 2.2388 2.2388 2.5351 2.5351 1.8269 3.1248 3.1248
H5 2.2388 1.0885 2.2388 2.5351 2.5351 3.1248 1.8269 3.1248
H6 2.2388 2.2388 1.0885 2.5351 2.5351 3.1248 3.1248 1.8269
H7 1.0885 2.2388 2.2388 1.8269 3.1248 3.1248 2.5351 2.5351
H8 2.2388 1.0885 2.2388 3.1248 1.8269 3.1248 2.5351 2.5351
H9 2.2388 2.2388 1.0885 3.1248 3.1248 1.8269 2.5351 2.5351
Maximum atom distance is 3.1248Å 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 118.100 C1 C2 H8 118.100
C1 C3 H6 118.100 C1 C3 H9 118.100
C2 C1 H4 118.100 C2 C1 H7 118.100
C2 C3 H6 118.100 C2 C3 H9 118.100
C3 C1 H4 118.100 C3 C1 H7 118.100
C3 C2 H5 118.100 C3 C2 H8 118.100
H4 C1 H7 114.104 H5 C2 H8 114.104
H6 C3 H9 114.104

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