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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

B3PW91/cc-pVTZ


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8658 0.0000   0.8658 0.0000 0.0000
C2 0.7498 -0.4329 0.0000   -0.4329 0.7498 0.0000
C3 -0.7498 -0.4329 0.0000   -0.4329 -0.7498 0.0000
H4 0.0000 1.4532 0.9087   1.4532 0.0000 0.9087
H5 1.2585 -0.7266 0.9087   -0.7266 1.2585 0.9087
H6 -1.2585 -0.7266 0.9087   -0.7266 -1.2585 0.9087
H7 0.0000 1.4532 -0.9087   1.4532 0.0000 -0.9087
H8 1.2585 -0.7266 -0.9087   -0.7266 1.2585 -0.9087
H9 -1.2585 -0.7266 -0.9087   -0.7266 -1.2585 -0.9087
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.4996 1.4996 1.0820 2.2238 2.2238 1.0820 2.2238 2.2238
C2 1.4996 1.4996 2.2238 1.0820 2.2238 2.2238 1.0820 2.2238
C3 1.4996 1.4996 2.2238 2.2238 1.0820 2.2238 2.2238 1.0820
H4 1.0820 2.2238 2.2238 2.5170 2.5170 1.8173 3.1045 3.1045
H5 2.2238 1.0820 2.2238 2.5170 2.5170 3.1045 1.8173 3.1045
H6 2.2238 2.2238 1.0820 2.5170 2.5170 3.1045 3.1045 1.8173
H7 1.0820 2.2238 2.2238 1.8173 3.1045 3.1045 2.5170 2.5170
H8 2.2238 1.0820 2.2238 3.1045 1.8173 3.1045 2.5170 2.5170
H9 2.2238 2.2238 1.0820 3.1045 3.1045 1.8173 2.5170 2.5170
Maximum atom distance is 3.1045Å 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 118.043 C1 C2 H8 118.043
C1 C3 H6 118.043 C1 C3 H9 118.043
C2 C1 H4 118.043 C2 C1 H7 118.043
C2 C3 H6 118.043 C2 C3 H9 118.043
C3 C1 H4 118.043 C3 C1 H7 118.043
C3 C2 H5 118.043 C3 C2 H8 118.043
H4 C1 H7 114.243 H5 C2 H8 114.243
H6 C3 H9 114.243

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