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 ONNO (NO dimer) 1Ag trans C2H

1910171554
InChI=1S/N2O2/c3-1-2-4 INChIKey=AZLYZRGJCVQKKK-UHFFFAOYSA-N

HF/6-311+G(3df,2p)


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.3765 0.6551 0.0000   0.5946 -0.4662 0.0000
N2 0.3765 -0.6551 0.0000   -0.5946 0.4662 0.0000
O3 0.3765 1.5133 0.0000   1.5515 0.1564 0.0000
O4 -0.3765 -1.5133 0.0000   -1.5515 -0.1564 0.0000
Atom - Atom Distances (Å)
  N1 N2 O3 O4
N1 1.5112 1.1417 2.1684
N2 1.5112 2.1684 1.1417
O3 1.1417 2.1684 3.1188
O4 2.1684 1.1417 3.1188
Maximum atom distance is 3.1188Å between atoms O3 and O4.
picture of NO dimer
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 N2 O4 108.847 N2 N1 O3 108.847

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