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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

B3LYP/SDD


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8851 0.0000   0.8851 0.0000 0.0000
C2 0.7665 -0.4425 0.0000   -0.4425 0.7665 0.0000
C3 -0.7665 -0.4425 0.0000   -0.4425 -0.7665 0.0000
H4 0.0000 1.4759 0.9115   1.4759 0.0000 0.9115
H5 1.2782 -0.7379 0.9115   -0.7379 1.2782 0.9115
H6 -1.2782 -0.7379 0.9115   -0.7379 -1.2782 0.9115
H7 0.0000 1.4759 -0.9115   1.4759 0.0000 -0.9115
H8 1.2782 -0.7379 -0.9115   -0.7379 1.2782 -0.9115
H9 -1.2782 -0.7379 -0.9115   -0.7379 -1.2782 -0.9115
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5330 1.5330 1.0862 2.2580 2.2580 1.0862 2.2580 2.2580
C2 1.5330 1.5330 2.2580 1.0862 2.2580 2.2580 1.0862 2.2580
C3 1.5330 1.5330 2.2580 2.2580 1.0862 2.2580 2.2580 1.0862
H4 1.0862 2.2580 2.2580 2.5563 2.5563 1.8230 3.1397 3.1397
H5 2.2580 1.0862 2.2580 2.5563 2.5563 3.1397 1.8230 3.1397
H6 2.2580 2.2580 1.0862 2.5563 2.5563 3.1397 3.1397 1.8230
H7 1.0862 2.2580 2.2580 1.8230 3.1397 3.1397 2.5563 2.5563
H8 2.2580 1.0862 2.2580 3.1397 1.8230 3.1397 2.5563 2.5563
H9 2.2580 2.2580 1.0862 3.1397 3.1397 1.8230 2.5563 2.5563
Maximum atom distance is 3.1397Å 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 118.102 C1 C2 H8 118.102
C1 C3 H6 118.102 C1 C3 H9 118.102
C2 C1 H4 118.102 C2 C1 H7 118.102
C2 C3 H6 118.102 C2 C3 H9 118.102
C3 C1 H4 118.102 C3 C1 H7 118.102
C3 C2 H5 118.102 C3 C2 H8 118.102
H4 C1 H7 114.099 H5 C2 H8 114.099
H6 C3 H9 114.099

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