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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

B1B95/6-31G**


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8650 0.0000   0.0000 0.8650 0.0000
C2 0.7491 -0.4325 0.0000   0.7491 -0.4325 0.0000
C3 -0.7491 -0.4325 0.0000   -0.7491 -0.4325 0.0000
H4 0.0000 1.4550 0.9093   0.0000 1.4550 0.9093
H5 1.2601 -0.7275 0.9093   1.2601 -0.7275 0.9093
H6 -1.2601 -0.7275 0.9093   -1.2601 -0.7275 0.9093
H7 0.0000 1.4550 -0.9093   0.0000 1.4550 -0.9093
H8 1.2601 -0.7275 -0.9093   1.2601 -0.7275 -0.9093
H9 -1.2601 -0.7275 -0.9093   -1.2601 -0.7275 -0.9093
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.4982 1.4982 1.0839 2.2250 2.2250 1.0839 2.2250 2.2250
C2 1.4982 1.4982 2.2250 1.0839 2.2250 2.2250 1.0839 2.2250
C3 1.4982 1.4982 2.2250 2.2250 1.0839 2.2250 2.2250 1.0839
H4 1.0839 2.2250 2.2250 2.5201 2.5201 1.8185 3.1078 3.1078
H5 2.2250 1.0839 2.2250 2.5201 2.5201 3.1078 1.8185 3.1078
H6 2.2250 2.2250 1.0839 2.5201 2.5201 3.1078 3.1078 1.8185
H7 1.0839 2.2250 2.2250 1.8185 3.1078 3.1078 2.5201 2.5201
H8 2.2250 1.0839 2.2250 3.1078 1.8185 3.1078 2.5201 2.5201
H9 2.2250 2.2250 1.0839 3.1078 3.1078 1.8185 2.5201 2.5201
Maximum atom distance is 3.1078Å 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 118.125 C1 C2 H8 118.125
C1 C3 H6 118.125 C1 C3 H9 118.125
C2 C1 H4 118.125 C2 C1 H7 118.125
C2 C3 H6 118.125 C2 C3 H9 118.125
C3 C1 H4 118.125 C3 C1 H7 118.125
C3 C2 H5 118.125 C3 C2 H8 118.125
H4 C1 H7 114.042 H5 C2 H8 114.042
H6 C3 H9 114.042

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