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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

PBEPBEultrafine/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.6500 0.0813 -0.0024   -0.6507 -0.0755 0.0062
O2 -0.6577 -0.8037 0.0379   0.6654 0.7975 0.0332
O3 -1.7657 0.0411 -0.1296   1.7633 -0.0561 -0.1545
O4 1.6295 -0.6247 -0.0052   -1.6237 0.6393 0.0211
O5 0.4688 1.2742 -0.0005   -0.4803 -1.2700 -0.0010
H6 -1.9495 0.3356 0.7956   1.9573 -0.3575 0.7664
Atom - Atom Distances (Å)
  N1 O2 O3 O4 O5 H6
N1 1.5796 2.4194 1.2074 1.2066 2.7311
O2 1.5796 1.4033 2.2947 2.3640 1.8817
O3 2.4194 1.4033 3.4621 2.5555 0.9882
O4 1.2074 2.2947 3.4621 2.2256 3.7911
O5 1.2066 2.3640 2.5555 2.2256 2.7135
H6 2.7311 1.8817 0.9882 3.7911 2.7135
Maximum atom distance is 3.7911Å 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 108.262 O2 N1 O4 110.126
O2 N1 O5 115.437 O4 N1 O5 134.422
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 O3 H6 102.386

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