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	hartrees
Energy at 0K	-356.012880
Energy at 298.15K	-356.016691
HF Energy	-356.012880
Nuclear repulsion energy	184.939929

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3706	3560	38.15
2	A	1832	1760	343.92
3	A	1434	1377	64.62
4	A	1372	1319	221.80
5	A	998	959	35.87
6	A	812	780	116.06
7	A	733	704	12.49
8	A	661	635	10.79
9	A	464	446	17.70
10	A	364	350	49.17
11	A	294	282	39.83
12	A	148	143	13.68

Atom	x (Å)	y (Å)	z (Å)
N1	0.623	0.078	-0.002
O2	-0.612	-0.788	0.057
O3	-1.746	0.016	-0.138
O4	1.609	-0.605	-0.015
O5	0.445	1.264	0.003
H6	-1.926	0.358	0.757

	N1	O2	O3	O4	O5	H6
N1		1.5100	2.3746	1.1993	1.1986	2.6740
O2	1.5100		1.4044	2.2293	2.3086	1.8786
O3	2.3746	1.4044		3.4144	2.5256	0.9749
O4	1.1993	2.2293	3.4144		2.2015	3.7436
O5	1.1986	2.3086	2.5256	2.2015		2.6471
H6	2.6740	1.8786	0.9749	3.7436	2.6471

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	109.074	O2	N1	O4	110.213
O2	N1	O5	116.462	O2	O3	H6	102.789
O4	N1	O5	133.303

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

using model chemistry: B3LYP/6-31G**

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	0.741
2	O	-0.185
3	O	-0.255
4	O	-0.320
5	O	-0.330
6	H	0.349

	x	y	z	Total
	-1.380	0.565	1.530	2.136
CHELPG
AIM
ESP

	x	y	z
x	5.421	-0.539	-0.164
y	-0.539	3.883	0.093
z	-0.164	0.093	1.947

<r²>	94.324
(<r²>)^1/2	9.712

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

using model chemistry: B3LYP/6-31G**

States and conformations

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