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Geometry for CH5N3S (Cyclopropane) 1A1' D3H

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

MP3/TZVP


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8689 0.0000   0.7596 0.4220 0.0000
C2 0.7525 -0.4345 0.0000   -0.7452 0.4468 0.0000
C3 -0.7525 -0.4345 0.0000   -0.0143 -0.8688 0.0000
H4 0.0000 1.4503 0.9099   1.2678 0.7043 0.9099
H5 1.2560 -0.7251 0.9099   -1.2438 0.7458 0.9099
H6 -1.2560 -0.7251 0.9099   -0.0239 -1.4501 0.9099
H7 0.0000 1.4503 -0.9099   1.2678 0.7043 -0.9099
H8 1.2560 -0.7251 -0.9099   -1.2438 0.7458 -0.9099
H9 -1.2560 -0.7251 -0.9099   -0.0239 -1.4501 -0.9099
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5050 1.5050 1.0797 2.2240 2.2240 1.0797 2.2240 2.2240
C2 1.5050 1.5050 2.2240 1.0797 2.2240 2.2240 1.0797 2.2240
C3 1.5050 1.5050 2.2240 2.2240 1.0797 2.2240 2.2240 1.0797
H4 1.0797 2.2240 2.2240 2.5119 2.5119 1.8197 3.1018 3.1018
H5 2.2240 1.0797 2.2240 2.5119 2.5119 3.1018 1.8197 3.1018
H6 2.2240 2.2240 1.0797 2.5119 2.5119 3.1018 3.1018 1.8197
H7 1.0797 2.2240 2.2240 1.8197 3.1018 3.1018 2.5119 2.5119
H8 2.2240 1.0797 2.2240 3.1018 1.8197 3.1018 2.5119 2.5119
H9 2.2240 2.2240 1.0797 3.1018 3.1018 1.8197 2.5119 2.5119
Maximum atom distance is 3.1018Å 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 117.794 C1 C2 H8 117.794
C1 C3 H6 117.794 C1 C3 H9 117.794
C2 C1 H4 117.794 C2 C1 H7 117.794
C2 C3 H6 117.794 C2 C3 H9 117.794
C3 C1 H4 117.794 C3 C1 H7 117.794
C3 C2 H5 117.794 C3 C2 H8 117.794
H4 C1 H7 114.847 H5 C2 H8 114.847
H6 C3 H9 114.847

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