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Geometry for C3H6 (Cyclopropane) 1A1' D3H

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

MP2=FULL/6-31G(2df,p)


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8661 0.0000   0.8417 0.2038 0.0000
C2 0.7500 -0.4330 0.0000   -0.5974 0.6271 0.0000
C3 -0.7500 -0.4330 0.0000   -0.2443 -0.8309 0.0000
H4 0.0000 1.4475 0.9090   1.4069 0.3407 0.9090
H5 1.2536 -0.7238 0.9090   -0.9985 1.0480 0.9090
H6 -1.2536 -0.7238 0.9090   -0.4084 -1.3887 0.9090
H7 0.0000 1.4475 -0.9090   1.4069 0.3407 -0.9090
H8 1.2536 -0.7238 -0.9090   -0.9985 1.0480 -0.9090
H9 -1.2536 -0.7238 -0.9090   -0.4084 -1.3887 -0.9090
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5001 1.5001 1.0790 2.2193 2.2193 1.0790 2.2193 2.2193
C2 1.5001 1.5001 2.2193 1.0790 2.2193 2.2193 1.0790 2.2193
C3 1.5001 1.5001 2.2193 2.2193 1.0790 2.2193 2.2193 1.0790
H4 1.0790 2.2193 2.2193 2.5072 2.5072 1.8180 3.0969 3.0969
H5 2.2193 1.0790 2.2193 2.5072 2.5072 3.0969 1.8180 3.0969
H6 2.2193 2.2193 1.0790 2.5072 2.5072 3.0969 3.0969 1.8180
H7 1.0790 2.2193 2.2193 1.8180 3.0969 3.0969 2.5072 2.5072
H8 2.2193 1.0790 2.2193 3.0969 1.8180 3.0969 2.5072 2.5072
H9 2.2193 2.2193 1.0790 3.0969 3.0969 1.8180 2.5072 2.5072
Maximum atom distance is 3.0969Å 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 117.818 C1 C2 H8 117.818
C1 C3 H6 117.818 C1 C3 H9 117.818
C2 C1 H4 117.818 C2 C1 H7 117.818
C2 C3 H6 117.818 C2 C3 H9 117.818
C3 C1 H4 117.818 C3 C1 H7 117.818
C3 C2 H5 117.818 C3 C2 H8 117.818
H4 C1 H7 114.787 H5 C2 H8 114.787
H6 C3 H9 114.787

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