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	hartrees
Energy at 0K	-351.110037
Energy at 298.15K	-351.113050
HF Energy	-351.110037
Nuclear repulsion energy	171.322987

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3300	3053	53.26
2	A	1591	1472	22.99
3	A	1401	1297	10.19
4	A	1221	1130	77.19
5	A	1136	1051	7.81
6	A	726	672	22.13
7	A	552	510	1.99
8	A	519	481	10.68
9	A	367	340	0.88
10	A	280	259	30.86
11	A	214	198	3.87
12	A	135	125	4.92

Atom	x (Å)	y (Å)	z (Å)
N1	0.662	0.071	-0.006
O2	-0.715	-0.913	0.014
O3	-1.797	0.033	-0.120
O4	1.807	-0.584	0.010
O5	0.368	1.361	-0.010
H6	-1.943	0.328	0.892

	N1	O2	O3	O4	O5	H6
N1		1.6919	2.4618	1.3197	1.3232	2.7676
O2	1.6919		1.4438	2.5433	2.5186	1.9541
O3	2.4618	1.4438		3.6593	2.5425	1.0643
O4	1.3197	2.5433	3.6593		2.4197	3.9594
O5	1.3232	2.5186	2.5425	2.4197		2.6876
H6	2.7676	1.9541	1.0643	3.9594	2.6876

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	103.174	O2	N1	O4	114.679
O2	N1	O5	112.733	O2	O3	H6	101.281
O4	N1	O5	132.572

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

using model chemistry: BLYP/STO-3G

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	0.087
2	O	-0.018
3	O	-0.104
4	O	-0.069
5	O	-0.078
6	H	0.182

	x	y	z	Total
	-1.100	0.246	1.214	1.656
CHELPG
AIM
ESP

	x	y	z
x	4.819	-0.406	-0.348
y	-0.406	2.626	0.130
z	-0.348	0.130	0.983

<r²>	103.915
(<r²>)^1/2	10.194

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

using model chemistry: BLYP/STO-3G

States and conformations

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