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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

CCSD/6-311G*


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8726 0.0000   0.8726 0.0000 0.0000
C2 0.7557 -0.4363 0.0000   -0.4363 0.7557 0.0000
C3 -0.7557 -0.4363 0.0000   -0.4363 -0.7557 0.0000
H4 0.0000 1.4609 0.9136   1.4609 0.0000 0.9136
H5 1.2652 -0.7304 0.9136   -0.7304 1.2652 0.9136
H6 -1.2652 -0.7304 0.9136   -0.7304 -1.2652 0.9136
H7 0.0000 1.4609 -0.9136   1.4609 0.0000 -0.9136
H8 1.2652 -0.7304 -0.9136   -0.7304 1.2652 -0.9136
H9 -1.2652 -0.7304 -0.9136   -0.7304 -1.2652 -0.9136
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5113 1.5113 1.0867 2.2372 2.2372 1.0867 2.2372 2.2372
C2 1.5113 1.5113 2.2372 1.0867 2.2372 2.2372 1.0867 2.2372
C3 1.5113 1.5113 2.2372 2.2372 1.0867 2.2372 2.2372 1.0867
H4 1.0867 2.2372 2.2372 2.5303 2.5303 1.8272 3.1211 3.1211
H5 2.2372 1.0867 2.2372 2.5303 2.5304 3.1211 1.8272 3.1211
H6 2.2372 2.2372 1.0867 2.5303 2.5304 3.1211 3.1211 1.8272
H7 1.0867 2.2372 2.2372 1.8272 3.1211 3.1211 2.5303 2.5303
H8 2.2372 1.0867 2.2372 3.1211 1.8272 3.1211 2.5303 2.5304
H9 2.2372 2.2372 1.0867 3.1211 3.1211 1.8272 2.5303 2.5304
Maximum atom distance is 3.1211Å 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 117.962 C1 C2 H8 117.962
C1 C3 H6 117.962 C1 C3 H9 117.962
C2 C1 H4 117.962 C2 C1 H7 117.962
C2 C3 H6 117.962 C2 C3 H9 117.962
C3 C1 H4 117.962 C3 C1 H7 117.962
C3 C2 H5 117.962 C3 C2 H8 117.962
H4 C1 H7 114.439 H5 C2 H8 114.438
H6 C3 H9 114.438

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