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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/daug-cc-pVTZ


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8630 0.0000   0.7167 0.4807 0.0000
C2 0.7474 -0.4315 0.0000   -0.7746 0.3804 0.0000
C3 -0.7474 -0.4315 0.0000   0.0579 -0.8610 0.0000
H4 0.0000 1.4473 0.9065   1.2020 0.8061 0.9065
H5 1.2534 -0.7237 0.9065   -1.2991 0.6379 0.9065
H6 -1.2534 -0.7237 0.9065   0.0971 -1.4441 0.9065
H7 0.0000 1.4473 -0.9065   1.2020 0.8061 -0.9065
H8 1.2534 -0.7237 -0.9065   -1.2991 0.6379 -0.9065
H9 -1.2534 -0.7237 -0.9065   0.0971 -1.4441 -0.9065
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.4947 1.4947 1.0786 2.2159 2.2159 1.0786 2.2159 2.2159
C2 1.4947 1.4947 2.2159 1.0786 2.2159 2.2159 1.0786 2.2159
C3 1.4947 1.4947 2.2159 2.2159 1.0786 2.2159 2.2159 1.0786
H4 1.0786 2.2159 2.2159 2.5068 2.5068 1.8131 3.0938 3.0938
H5 2.2159 1.0786 2.2159 2.5068 2.5068 3.0938 1.8131 3.0938
H6 2.2159 2.2159 1.0786 2.5068 2.5068 3.0938 3.0938 1.8131
H7 1.0786 2.2159 2.2159 1.8131 3.0938 3.0938 2.5068 2.5068
H8 2.2159 1.0786 2.2159 3.0938 1.8131 3.0938 2.5068 2.5068
H9 2.2159 2.2159 1.0786 3.0938 3.0938 1.8131 2.5068 2.5068
Maximum atom distance is 3.0938Å 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 117.982 C1 C2 H8 117.982
C1 C3 H6 117.982 C1 C3 H9 117.982
C2 C1 H4 117.982 C2 C1 H7 117.982
C2 C3 H6 117.982 C2 C3 H9 117.982
C3 C1 H4 117.982 C3 C1 H7 117.982
C3 C2 H5 117.982 C3 C2 H8 117.982
H4 C1 H7 114.391 H5 C2 H8 114.391
H6 C3 H9 114.391

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