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	hartrees
Energy at 0K	-354.407233
Energy at 298.15K	-354.411070
HF Energy	-354.407233
Nuclear repulsion energy	186.154265

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3595	3551	49.47
2	A	1879	1856	343.32
3	A	1386	1369	204.47
4	A	1377	1360	71.67
5	A	1015	1003	63.02
6	A	810	800	90.81
7	A	735	726	9.58
8	A	670	661	11.12
9	A	439	433	20.15
10	A	360	356	48.82
11	A	289	286	34.12
12	A	170	168	16.78

Atom	x (Å)	y (Å)	z (Å)
N1	0.634	0.082	-0.002
O2	-0.629	-0.790	0.045
O3	-1.722	0.022	-0.132
O4	1.604	-0.599	-0.008
O5	0.431	1.251	-0.000
H6	-1.913	0.354	0.772

	N1	O2	O3	O4	O5	H6
N1		1.5353	2.3596	1.1853	1.1866	2.6751
O2	1.5353		1.3730	2.2415	2.3010	1.8670
O3	2.3596	1.3730		3.3851	2.4828	0.9814
O4	1.1853	2.2415	3.3851		2.1903	3.7258
O5	1.1866	2.3010	2.4828	2.1903		2.6262
H6	2.6751	1.8670	0.9814	3.7258	2.6262

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	108.326	O2	N1	O4	110.297
O2	N1	O5	114.822	O2	O3	H6	103.682
O4	N1	O5	134.866

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

using model chemistry: LSDA/6-311G**

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	0.374
2	O	-0.142
3	O	-0.193
4	O	-0.168
5	O	-0.164
6	H	0.292

	x	y	z	Total
	-1.235	0.685	1.601	2.135
CHELPG
AIM
ESP

	x	y	z
x	5.690	-0.486	-0.185
y	-0.486	3.969	0.085
z	-0.185	0.085	1.899

<r²>	93.556
(<r²>)^1/2	9.672

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

using model chemistry: LSDA/6-311G**

States and conformations

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