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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

MP2/6-31G*


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8680 0.0000   0.8680 0.0000 0.0000
C2 0.7517 -0.4340 0.0000   -0.4340 0.7517 0.0000
C3 -0.7517 -0.4340 0.0000   -0.4340 -0.7517 0.0000
H4 0.0000 1.4569 0.9108   1.4569 0.0000 0.9108
H5 1.2618 -0.7285 0.9108   -0.7285 1.2618 0.9108
H6 -1.2618 -0.7285 0.9108   -0.7285 -1.2618 0.9108
H7 0.0000 1.4569 -0.9108   1.4569 0.0000 -0.9108
H8 1.2618 -0.7285 -0.9108   -0.7285 1.2618 -0.9108
H9 -1.2618 -0.7285 -0.9108   -0.7285 -1.2618 -0.9108
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5035 1.5035 1.0846 2.2294 2.2294 1.0846 2.2294 2.2294
C2 1.5035 1.5035 2.2294 1.0846 2.2294 2.2294 1.0846 2.2294
C3 1.5035 1.5035 2.2294 2.2294 1.0846 2.2294 2.2294 1.0846
H4 1.0846 2.2294 2.2294 2.5235 2.5235 1.8216 3.1123 3.1123
H5 2.2294 1.0846 2.2294 2.5235 2.5235 3.1123 1.8216 3.1123
H6 2.2294 2.2294 1.0846 2.5235 2.5235 3.1123 3.1123 1.8216
H7 1.0846 2.2294 2.2294 1.8216 3.1123 3.1123 2.5235 2.5235
H8 2.2294 1.0846 2.2294 3.1123 1.8216 3.1123 2.5235 2.5235
H9 2.2294 2.2294 1.0846 3.1123 3.1123 1.8216 2.5235 2.5235
Maximum atom distance is 3.1123Å 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 118.049 C1 C2 H8 118.049
C1 C3 H6 118.049 C1 C3 H9 118.049
C2 C1 H4 118.049 C2 C1 H7 118.049
C2 C3 H6 118.049 C2 C3 H9 118.049
C3 C1 H4 118.049 C3 C1 H7 118.049
C3 C2 H5 118.049 C3 C2 H8 118.049
H4 C1 H7 114.229 H5 C2 H8 114.229
H6 C3 H9 114.229

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