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Geometry for HOONO2 (peroxy nitric acid) 1A C1

1910171554
InChI=1S/HNO4/c2-1(3)5-4/h4H INChIKey=UUZZMWZGAZGXSF-UHFFFAOYSA-N

mPW1PW91/6-31G(2df,p)


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.6038 0.0772 -0.0020   0.6045 0.0708 -0.0097
O2 -0.5859 -0.7726 0.0529   -0.5934 -0.7667 0.0554
O3 -1.7146 -0.0002 -0.1325   -1.7161 0.0190 -0.1090
O4 1.5859 -0.5896 -0.0120   1.5792 -0.6062 -0.0380
O5 0.4218 1.2493 -0.0001   0.4352 1.2448 0.0031
H6 -1.8850 0.3639 0.7476   -1.8706 0.3784 0.7760
Atom - Atom Distances (Å)
  N1 O2 O3 O4 O5 H6
N1 1.4630 2.3233 1.1871 1.1862 2.6150
O2 1.4630 1.3802 2.1805 2.2598 1.8607
O3 2.3233 1.3802 3.3549 2.4785 0.9676
O4 1.1871 2.1805 3.3549 2.1764 3.6788
O5 1.1862 2.2598 2.4785 2.1764 2.5816
H6 2.6150 1.8607 0.9676 3.6788 2.5816
Maximum atom distance is 3.6788Å between atoms O4 and H6.
picture of peroxy nitric acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 O2 O3 109.565 O2 N1 O4 110.296
O2 N1 O5 116.690 O4 N1 O5 132.992
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 O3 H6 103.442

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