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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

PBEPBE/aug-cc-pVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.6593 0.0817 0.0001   -0.6599 -0.0759 0.0089
O2 -0.6665 -0.7917 0.0294   0.6738 0.7857 0.0245
O3 -1.7750 0.0542 -0.1253   1.7725 -0.0690 -0.1505
O4 1.6157 -0.6389 -0.0023   -1.6098 0.6530 0.0239
O5 0.4976 1.2664 -0.0016   -0.5087 -1.2620 -0.0017
H6 -1.9886 0.3076 0.7979   1.9968 -0.3295 0.7682
Atom - Atom Distances (Å)
  N1 O2 O3 O4 O5 H6
N1 1.5879 2.4377 1.1974 1.1958 2.7747
O2 1.5879 1.4029 2.2875 2.3648 1.8834
O3 2.4377 1.4029 3.4630 2.5786 0.9809
O4 1.1974 2.2875 3.4630 2.2092 3.8114
O5 1.1958 2.3648 2.5786 2.2092 2.7821
H6 2.7747 1.8834 0.9809 3.8114 2.7821
Maximum atom distance is 3.8114Å 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 109.027 O2 N1 O4 109.628
O2 N1 O5 115.599 O4 N1 O5 134.769
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 O3 H6 102.947

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