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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

TPSSh/3-21G*


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8820 0.0000   0.8820 0.0000 0.0000
C2 0.7639 -0.4410 0.0000   -0.4410 0.7639 0.0000
C3 -0.7639 -0.4410 0.0000   -0.4410 -0.7639 0.0000
H4 0.0000 1.4629 0.9160   1.4629 0.0000 0.9160
H5 1.2669 -0.7314 0.9160   -0.7314 1.2669 0.9160
H6 -1.2669 -0.7314 0.9160   -0.7314 -1.2669 0.9160
H7 0.0000 1.4629 -0.9160   1.4629 0.0000 -0.9160
H8 1.2669 -0.7314 -0.9160   -0.7314 1.2669 -0.9160
H9 -1.2669 -0.7314 -0.9160   -0.7314 -1.2669 -0.9160
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5277 1.5277 1.0846 2.2466 2.2466 1.0846 2.2466 2.2466
C2 1.5277 1.5277 2.2466 1.0846 2.2466 2.2466 1.0846 2.2466
C3 1.5277 1.5277 2.2466 2.2466 1.0846 2.2466 2.2466 1.0846
H4 1.0846 2.2466 2.2466 2.5337 2.5337 1.8320 3.1266 3.1266
H5 2.2466 1.0846 2.2466 2.5337 2.5337 3.1266 1.8320 3.1266
H6 2.2466 2.2466 1.0846 2.5337 2.5337 3.1266 3.1266 1.8320
H7 1.0846 2.2466 2.2466 1.8320 3.1266 3.1266 2.5337 2.5337
H8 2.2466 1.0846 2.2466 3.1266 1.8320 3.1266 2.5337 2.5337
H9 2.2466 2.2466 1.0846 3.1266 3.1266 1.8320 2.5337 2.5337
Maximum atom distance is 3.1266Å 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 117.631 C1 C2 H8 117.631
C1 C3 H6 117.631 C1 C3 H9 117.631
C2 C1 H4 117.631 C2 C1 H7 117.631
C2 C3 H6 117.631 C2 C3 H9 117.631
C3 C1 H4 117.631 C3 C1 H7 117.631
C3 C2 H5 117.631 C3 C2 H8 117.631
H4 C1 H7 115.242 H5 C2 H8 115.242
H6 C3 H9 115.242

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