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Geometry for INO (Nitrosyl iodide) 1A' CS

1910171554
InChI=1S/INO/c1-2-3 INChIKey=VBAXOVGEFYCYMW-UHFFFAOYSA-N

B3LYP/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.5258 -1.6490 0.0000   -1.6635 0.4779 0.0000
O2 -0.4601 -2.4185 0.0000   -2.4041 -0.5299 0.0000
I3 0.0000 0.5828 0.0000   0.5826 0.0169 0.0000
Atom - Atom Distances (Å)
  N1 O2 I3
N1 1.2507 2.2929
O2 1.2507 3.0364
I3 2.2929 3.0364
Maximum atom distance is 3.0364Å between atoms O2 and I3.
picture of Nitrosyl iodide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 N1 I3 114.713

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