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Geometry for (peroxy nitric acid) 1A C1

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

B3LYPultrafine/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.6238 0.0786 -0.0014   -0.6247 -0.0711 0.0059
O2 -0.6128 -0.7874 0.0555   0.6229 0.7795 0.0531
O3 -1.7468 0.0179 -0.1383   1.7446 -0.0380 -0.1603
O4 1.6081 -0.6066 -0.0148   -1.6007 0.6260 0.0094
O5 0.4472 1.2639 0.0033   -0.4624 -1.2584 0.0005
H6 -1.9328 0.3472 0.7638   1.9378 -0.3756 0.7372
Atom - Atom Distances (Å)
  N1 O2 O3 O4 O5 H6
N1 1.5107 2.3754 1.1993 1.1984 2.6822
O2 1.5107 1.4043 2.2293 2.3096 1.8792
O3 2.3754 1.4043 3.4148 2.5271 0.9781
O4 1.1993 2.2293 3.4148 2.2016 3.7489
O5 1.1984 2.3096 2.5271 2.2016 2.6615
H6 2.6822 1.8792 0.9781 3.7489 2.6615
Maximum atom distance is 3.7489Å 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 109.095 O2 N1 O4 110.164
O2 N1 O5 116.496 O4 N1 O5 133.319
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 O3 H6 102.670

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