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	hartrees
Energy at 0K	-353.841975
Energy at 298.15K
HF Energy	-353.841975
Nuclear repulsion energy	180.937997

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3225	3055	46.05
2	A	1572	1489	24.19
3	A	1451	1375	289.51
4	A	1167	1106	171.89
5	A	1058	1002	7.21
6	A	859	814	95.67
7	A	683	647	12.31
8	A	678	642	66.25
9	A	529	501	1.61
10	A	439	416	116.83
11	A	388	367	16.60
12	A	146	138	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)