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Geometry for CH5N3S (Cyclopropane) 1A1' D3H

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

MP2=FULL/cc-pVTZ


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8651 0.0000   0.8651 0.0000 0.0000
C2 0.7492 -0.4326 0.0000   -0.4326 0.7492 0.0000
C3 -0.7492 -0.4326 0.0000   -0.4326 -0.7492 0.0000
H4 0.0000 1.4418 0.9066   1.4418 0.0000 0.9066
H5 1.2486 -0.7209 0.9066   -0.7209 1.2486 0.9066
H6 -1.2486 -0.7209 0.9066   -0.7209 -1.2486 0.9066
H7 0.0000 1.4418 -0.9066   1.4418 0.0000 -0.9066
H8 1.2486 -0.7209 -0.9066   -0.7209 1.2486 -0.9066
H9 -1.2486 -0.7209 -0.9066   -0.7209 -1.2486 -0.9066
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.4985 1.4985 1.0744 2.2128 2.2128 1.0744 2.2128 2.2128
C2 1.4985 1.4985 2.2128 1.0744 2.2128 2.2128 1.0744 2.2128
C3 1.4985 1.4985 2.2128 2.2128 1.0744 2.2128 2.2128 1.0744
H4 1.0744 2.2128 2.2128 2.4973 2.4973 1.8132 3.0861 3.0861
H5 2.2128 1.0744 2.2128 2.4973 2.4973 3.0861 1.8132 3.0861
H6 2.2128 2.2128 1.0744 2.4973 2.4973 3.0861 3.0861 1.8132
H7 1.0744 2.2128 2.2128 1.8132 3.0861 3.0861 2.4973 2.4973
H8 2.2128 1.0744 2.2128 3.0861 1.8132 3.0861 2.4973 2.4973
H9 2.2128 2.2128 1.0744 3.0861 3.0861 1.8132 2.4973 2.4973
Maximum atom distance is 3.0861Å 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 117.697 C1 C2 H8 117.697
C1 C3 H6 117.697 C1 C3 H9 117.697
C2 C1 H4 117.697 C2 C1 H7 117.697
C2 C3 H6 117.697 C2 C3 H9 117.697
C3 C1 H4 117.697 C3 C1 H7 117.697
C3 C2 H5 117.697 C3 C2 H8 117.697
H4 C1 H7 115.082 H5 C2 H8 115.082
H6 C3 H9 115.082

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