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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

QCISD/6-31G


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8838 0.0000   0.8838 0.0000 0.0000
C2 0.7654 -0.4419 0.0000   -0.4419 0.7654 0.0000
C3 -0.7654 -0.4419 0.0000   -0.4419 -0.7654 0.0000
H4 0.0000 1.4810 0.9134   1.4810 0.0000 0.9134
H5 1.2826 -0.7405 0.9134   -0.7405 1.2826 0.9134
H6 -1.2826 -0.7405 0.9134   -0.7405 -1.2826 0.9134
H7 0.0000 1.4810 -0.9134   1.4810 0.0000 -0.9134
H8 1.2826 -0.7405 -0.9134   -0.7405 1.2826 -0.9134
H9 -1.2826 -0.7405 -0.9134   -0.7405 -1.2826 -0.9134
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5308 1.5308 1.0913 2.2622 2.2622 1.0913 2.2622 2.2622
C2 1.5308 1.5308 2.2622 1.0913 2.2622 2.2622 1.0913 2.2622
C3 1.5308 1.5308 2.2622 2.2622 1.0913 2.2622 2.2622 1.0913
H4 1.0913 2.2622 2.2622 2.5651 2.5651 1.8268 3.1491 3.1491
H5 2.2622 1.0913 2.2622 2.5651 2.5651 3.1491 1.8268 3.1491
H6 2.2622 2.2622 1.0913 2.5651 2.5651 3.1491 3.1491 1.8268
H7 1.0913 2.2622 2.2622 1.8268 3.1491 3.1491 2.5651 2.5651
H8 2.2622 1.0913 2.2622 3.1491 1.8268 3.1491 2.5651 2.5651
H9 2.2622 2.2622 1.0913 3.1491 3.1491 1.8268 2.5651 2.5651
Maximum atom distance is 3.1491Å 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 118.289 C1 C2 H8 118.289
C1 C3 H6 118.289 C1 C3 H9 118.289
C2 C1 H4 118.289 C2 C1 H7 118.289
C2 C3 H6 118.289 C2 C3 H9 118.289
C3 C1 H4 118.289 C3 C1 H7 118.289
C3 C2 H5 118.289 C3 C2 H8 118.289
H4 C1 H7 113.646 H5 C2 H8 113.646
H6 C3 H9 113.646

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