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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

MP3/6-31+G**


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8699 0.0000   -0.5030 0.7098 0.0000
C2 0.7534 -0.4350 0.0000   0.8662 0.0807 0.0000
C3 -0.7534 -0.4350 0.0000   -0.3632 -0.7905 0.0000
H4 0.0000 1.4543 0.9081   -0.8409 1.1865 0.9081
H5 1.2594 -0.7271 0.9081   1.4480 0.1350 0.9081
H6 -1.2594 -0.7271 0.9081   -0.6071 -1.3215 0.9081
H7 0.0000 1.4543 -0.9081   -0.8409 1.1865 -0.9081
H8 1.2594 -0.7271 -0.9081   1.4480 0.1350 -0.9081
H9 -1.2594 -0.7271 -0.9081   -0.6071 -1.3215 -0.9081
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5068 1.5068 1.0798 2.2274 2.2274 1.0798 2.2274 2.2274
C2 1.5068 1.5068 2.2274 1.0798 2.2274 2.2274 1.0798 2.2274
C3 1.5068 1.5068 2.2274 2.2274 1.0798 2.2274 2.2274 1.0798
H4 1.0798 2.2274 2.2274 2.5189 2.5189 1.8162 3.1053 3.1053
H5 2.2274 1.0798 2.2274 2.5189 2.5189 3.1053 1.8162 3.1053
H6 2.2274 2.2274 1.0798 2.5189 2.5189 3.1053 3.1053 1.8162
H7 1.0798 2.2274 2.2274 1.8162 3.1053 3.1053 2.5189 2.5189
H8 2.2274 1.0798 2.2274 3.1053 1.8162 3.1053 2.5189 2.5189
H9 2.2274 2.2274 1.0798 3.1053 3.1053 1.8162 2.5189 2.5189
Maximum atom distance is 3.1053Å 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 117.945 C1 C2 H8 117.945
C1 C3 H6 117.945 C1 C3 H9 117.945
C2 C1 H4 117.945 C2 C1 H7 117.945
C2 C3 H6 117.945 C2 C3 H9 117.945
C3 C1 H4 117.945 C3 C1 H7 117.945
C3 C2 H5 117.945 C3 C2 H8 117.945
H4 C1 H7 114.480 H5 C2 H8 114.480
H6 C3 H9 114.480

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