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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

BLYP/TZVP


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8763 0.0000   -0.2771 0.8313 0.0000
C2 0.7589 -0.4381 0.0000   0.8585 -0.1757 0.0000
C3 -0.7589 -0.4381 0.0000   -0.5814 -0.6556 0.0000
H4 0.0000 1.4676 0.9141   -0.4641 1.3923 0.9141
H5 1.2710 -0.7338 0.9141   1.4378 -0.2942 0.9141
H6 -1.2710 -0.7338 0.9141   -0.9737 -1.0981 0.9141
H7 0.0000 1.4676 -0.9141   -0.4641 1.3923 -0.9141
H8 1.2710 -0.7338 -0.9141   1.4378 -0.2942 -0.9141
H9 -1.2710 -0.7338 -0.9141   -0.9737 -1.0981 -0.9141
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5177 1.5177 1.0887 2.2457 2.2457 1.0887 2.2457 2.2457
C2 1.5177 1.5177 2.2457 1.0887 2.2457 2.2457 1.0887 2.2457
C3 1.5177 1.5177 2.2457 2.2457 1.0887 2.2457 2.2457 1.0887
H4 1.0887 2.2457 2.2457 2.5420 2.5420 1.8282 3.1311 3.1311
H5 2.2457 1.0887 2.2457 2.5420 2.5420 3.1311 1.8282 3.1311
H6 2.2457 2.2457 1.0887 2.5420 2.5420 3.1311 3.1311 1.8282
H7 1.0887 2.2457 2.2457 1.8282 3.1311 3.1311 2.5420 2.5420
H8 2.2457 1.0887 2.2457 3.1311 1.8282 3.1311 2.5420 2.5420
H9 2.2457 2.2457 1.0887 3.1311 3.1311 1.8282 2.5420 2.5420
Maximum atom distance is 3.1311Å 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 118.060 C1 C2 H8 118.060
C1 C3 H6 118.060 C1 C3 H9 118.060
C2 C1 H4 118.060 C2 C1 H7 118.060
C2 C3 H6 118.060 C2 C3 H9 118.060
C3 C1 H4 118.060 C3 C1 H7 118.060
C3 C2 H5 118.060 C3 C2 H8 118.060
H4 C1 H7 114.200 H5 C2 H8 114.200
H6 C3 H9 114.200

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