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 HNO3 (Nitric acid) 1A' CS

1910171554
InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4) INChIKey=GRYLNZFGIOXLOG-UHFFFAOYSA-N

B3LYP/Def2TZVPP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.0000 0.1551 0.0000   0.1545 -0.0139 0.0000
O2 -0.2680 -1.2300 0.0000   -1.2491 -0.1565 0.0000
O3 1.1677 0.4604 0.0000   0.5634 1.1216 0.0000
O4 -0.9770 0.8371 0.0000   0.7460 -1.0482 0.0000
H5 0.6183 -1.6256 0.0000   -1.5635 0.7618 0.0000
Atom - Atom Distances (Å)
  N1 O2 O3 O4 H5
N1 1.4108 1.2069 1.1914 1.8850
O2 1.4108 2.2178 2.1852 0.9706
O3 1.2069 2.2178 2.1775 2.1571
O4 1.1914 2.1852 2.1775 2.9342
H5 1.8850 0.9706 2.1571 2.9342
Maximum atom distance is 2.9342Å between atoms O4 and H5.
picture of Nitric acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 N1 O3 115.602 O2 N1 O4 113.965
O3 N1 O4 130.433
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 O2 H5 103.103

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