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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

mPW1PW91/3-21G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.6354 0.0854 -0.0020   0.6362 0.0783 -0.0096
O2 -0.6104 -0.8571 0.0813   -0.6189 -0.8508 0.0828
O3 -1.7680 0.0053 -0.1555   -1.7697 0.0262 -0.1327
O4 1.6818 -0.5668 -0.0299   1.6748 -0.5853 -0.0557
O5 0.3782 1.2928 0.0120   0.3928 1.2884 0.0167
H6 -1.9007 0.4077 0.7511   -1.8863 0.4232 0.7785
Atom - Atom Distances (Å)
  N1 O2 O3 O4 O5 H6
N1 1.5643 2.4096 1.2333 1.2346 2.6652
O2 1.5643 1.4628 2.3132 2.3673 1.9270
O3 2.4096 1.4628 3.4992 2.5083 1.0007
O4 1.2333 2.3132 3.4992 2.2715 3.7940
O5 1.2346 2.3673 2.5083 2.2715 2.5540
H6 2.6652 1.9270 1.0007 3.7940 2.5540
Maximum atom distance is 3.7940Å 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 105.452 O2 N1 O4 110.997
O2 N1 O5 115.004 O4 N1 O5 133.961
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 O3 H6 101.268

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