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Geometry for CH5N3S (Cyclopropane) 1A1' D3H

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

TPSSh/6-31G**


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8706 0.0000   0.8706 0.0000 0.0000
C2 0.7539 -0.4353 0.0000   -0.4353 0.7539 0.0000
C3 -0.7539 -0.4353 0.0000   -0.4353 -0.7539 0.0000
H4 0.0000 1.4603 0.9113   1.4603 0.0000 0.9113
H5 1.2647 -0.7302 0.9113   -0.7302 1.2647 0.9113
H6 -1.2647 -0.7302 0.9113   -0.7302 -1.2647 0.9113
H7 0.0000 1.4603 -0.9113   1.4603 0.0000 -0.9113
H8 1.2647 -0.7302 -0.9113   -0.7302 1.2647 -0.9113
H9 -1.2647 -0.7302 -0.9113   -0.7302 -1.2647 -0.9113
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5079 1.5079 1.0855 2.2344 2.2344 1.0855 2.2344 2.2344
C2 1.5079 1.5079 2.2344 1.0855 2.2344 2.2344 1.0855 2.2344
C3 1.5079 1.5079 2.2344 2.2344 1.0855 2.2344 2.2344 1.0855
H4 1.0855 2.2344 2.2344 2.5294 2.5294 1.8227 3.1177 3.1177
H5 2.2344 1.0855 2.2344 2.5294 2.5294 3.1177 1.8227 3.1177
H6 2.2344 2.2344 1.0855 2.5294 2.5294 3.1177 3.1177 1.8227
H7 1.0855 2.2344 2.2344 1.8227 3.1177 3.1177 2.5294 2.5294
H8 2.2344 1.0855 2.2344 3.1177 1.8227 3.1177 2.5294 2.5294
H9 2.2344 2.2344 1.0855 3.1177 3.1177 1.8227 2.5294 2.5294
Maximum atom distance is 3.1177Å 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 118.067 C1 C2 H8 118.067
C1 C3 H6 118.067 C1 C3 H9 118.067
C2 C1 H4 118.067 C2 C1 H7 118.067
C2 C3 H6 118.067 C2 C3 H9 118.067
C3 C1 H4 118.067 C3 C1 H7 118.067
C3 C2 H5 118.067 C3 C2 H8 118.067
H4 C1 H7 114.184 H5 C2 H8 114.184
H6 C3 H9 114.184

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