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Geometry for INO (Nitrosyl iodide) 1A' CS

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

PBEPBEultrafine/Def2TZVPP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.4807 -1.7272 0.0000   -1.7135 0.5276 0.0000
O2 -0.4206 -2.4386 0.0000   -2.4491 -0.3539 0.0000
I3 0.0000 0.5962 0.0000   0.5960 -0.0163 0.0000
Atom - Atom Distances (Å)
  N1 O2 I3
N1 1.1481 2.3726
O2 1.1481 3.0638
I3 2.3726 3.0638
Maximum atom distance is 3.0638Å 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 116.596

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