return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for ClNO (Nitrosyl chloride) 1A' CS

1910171554
InChI=1S/ClNO/c1-2-3 INChIKey=VPCDQGACGWYTMC-UHFFFAOYSA-N

M06-2X/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.5299 -0.9156 0.0000   -0.4816 -0.9419 0.0000
N2 0.0000 0.9618 0.0000   0.8079 0.5219 0.0000
O3 1.1260 1.1041 0.0000   0.3165 1.5449 0.0000
Atom - Atom Distances (Å)
  Cl1 N2 O3
Cl1 1.9507 2.6117
N2 1.9507 1.1349
O3 2.6117 1.1349
Maximum atom distance is 2.6117Å between atoms Cl1 and O3.
picture of Nitrosyl chloride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 N2 O3 112.963

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