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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

B3LYP/3-21G


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8804 0.0000   0.8804 0.0000 0.0000
C2 0.7625 -0.4402 0.0000   -0.4402 0.7625 0.0000
C3 -0.7625 -0.4402 0.0000   -0.4402 -0.7625 0.0000
H4 0.0000 1.4628 0.9135   1.4628 0.0000 0.9135
H5 1.2668 -0.7314 0.9135   -0.7314 1.2668 0.9135
H6 -1.2668 -0.7314 0.9135   -0.7314 -1.2668 0.9135
H7 0.0000 1.4628 -0.9135   1.4628 0.0000 -0.9135
H8 1.2668 -0.7314 -0.9135   -0.7314 1.2668 -0.9135
H9 -1.2668 -0.7314 -0.9135   -0.7314 -1.2668 -0.9135
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5250 1.5250 1.0833 2.2444 2.2444 1.0833 2.2444 2.2444
C2 1.5250 1.5250 2.2444 1.0833 2.2444 2.2444 1.0833 2.2444
C3 1.5250 1.5250 2.2444 2.2444 1.0833 2.2444 2.2444 1.0833
H4 1.0833 2.2444 2.2444 2.5336 2.5336 1.8270 3.1236 3.1236
H5 2.2444 1.0833 2.2444 2.5336 2.5336 3.1236 1.8270 3.1236
H6 2.2444 2.2444 1.0833 2.5336 2.5336 3.1236 3.1236 1.8270
H7 1.0833 2.2444 2.2444 1.8270 3.1236 3.1236 2.5336 2.5336
H8 2.2444 1.0833 2.2444 3.1236 1.8270 3.1236 2.5336 2.5336
H9 2.2444 2.2444 1.0833 3.1236 3.1236 1.8270 2.5336 2.5336
Maximum atom distance is 3.1236Å 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 117.744 C1 C2 H8 117.744
C1 C3 H6 117.744 C1 C3 H9 117.744
C2 C1 H4 117.744 C2 C1 H7 117.744
C2 C3 H6 117.744 C2 C3 H9 117.744
C3 C1 H4 117.744 C3 C1 H7 117.744
C3 C2 H5 117.744 C3 C2 H8 117.744
H4 C1 H7 114.968 H5 C2 H8 114.968
H6 C3 H9 114.968

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