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	hartrees
Energy at 0K	-353.843165
Energy at 298.15K	-353.847200
HF Energy	-353.843165
Nuclear repulsion energy	181.615109

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3225	3092	46.05
2	A	1572	1507	24.19
3	A	1451	1391	289.51
4	A	1167	1119	171.89
5	A	1058	1014	7.21
6	A	859	823	95.67
7	A	683	655	12.31
8	A	678	650	66.25
9	A	529	507	1.61
10	A	439	421	116.83
11	A	388	372	16.60
12	A	146	140	8.81

Atom	x (Å)	y (Å)	z (Å)
N1	-0.605	0.061	-0.001
O2	0.560	-0.881	0.002
O3	1.795	-0.057	-0.002
O4	-1.693	-0.514	-0.001
O5	-0.305	1.289	0.001
H6	1.376	0.874	0.004

	N1	O2	O3	O4	O5	H6
N1		1.4985	2.4030	1.2309	1.2643	2.1414
O2	1.4985		1.4847	2.2834	2.3362	1.9354
O3	2.4030	1.4847		3.5183	2.4940	1.0207
O4	1.2309	2.2834	3.5183		2.2758	3.3686
O5	1.2643	2.3362	2.4940	2.2758		1.7312
H6	2.1414	1.9354	1.0207	3.3686	1.7312

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	107.319	O2	N1	O4	113.207
O2	N1	O5	115.209	O2	O3	H6	99.488
O4	N1	O5	131.583

All results from a given calculation for HOONO₂ (peroxy nitric acid)

using model chemistry: M06-2X/3-21G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	N	0.542
2	O	-0.095
3	O	-0.328
4	O	-0.231
5	O	-0.299
6	H	0.411

	x	y	z	Total
	0.067	1.230	0.009	1.232
CHELPG
AIM
ESP

	x	y	z
x	5.230	0.668	0.000
y	0.668	3.611	0.001
z	0.000	0.001	0.709

<r²>	96.497
(<r²>)^1/2	9.823

All results from a given calculation for HOONO2 (peroxy nitric acid)

using model chemistry: M06-2X/3-21G

States and conformations

All results from a given calculation for HOONO₂ (peroxy nitric acid)