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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/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 0.8688 0.0000   0.0000 0.8688 0.0000
C2 0.7524 -0.4344 0.0000   0.7524 -0.4344 0.0000
C3 -0.7524 -0.4344 0.0000   -0.7524 -0.4344 0.0000
H4 0.0000 1.4552 0.9096   0.0000 1.4552 0.9096
H5 1.2602 -0.7276 0.9096   1.2602 -0.7276 0.9096
H6 -1.2602 -0.7276 0.9096   -1.2602 -0.7276 0.9096
H7 0.0000 1.4552 -0.9096   0.0000 1.4552 -0.9096
H8 1.2602 -0.7276 -0.9096   1.2602 -0.7276 -0.9096
H9 -1.2602 -0.7276 -0.9096   -1.2602 -0.7276 -0.9096
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5047 1.5047 1.0823 2.2280 2.2280 1.0823 2.2280 2.2280
C2 1.5047 1.5047 2.2280 1.0823 2.2280 2.2280 1.0823 2.2280
C3 1.5047 1.5047 2.2280 2.2280 1.0823 2.2280 2.2280 1.0823
H4 1.0823 2.2280 2.2280 2.5204 2.5204 1.8193 3.1084 3.1084
H5 2.2280 1.0823 2.2280 2.5204 2.5204 3.1084 1.8193 3.1084
H6 2.2280 2.2280 1.0823 2.5204 2.5204 3.1084 3.1084 1.8193
H7 1.0823 2.2280 2.2280 1.8193 3.1084 3.1084 2.5204 2.5204
H8 2.2280 1.0823 2.2280 3.1084 1.8193 3.1084 2.5204 2.5204
H9 2.2280 2.2280 1.0823 3.1084 3.1084 1.8193 2.5204 2.5204
Maximum atom distance is 3.1084Å 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 117.986 C1 C2 H8 117.986
C1 C3 H6 117.986 C1 C3 H9 117.986
C2 C1 H4 117.986 C2 C1 H7 117.986
C2 C3 H6 117.986 C2 C3 H9 117.986
C3 C1 H4 117.986 C3 C1 H7 117.986
C3 C2 H5 117.986 C3 C2 H8 117.986
H4 C1 H7 114.382 H5 C2 H8 114.382
H6 C3 H9 114.382

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