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	hartrees
Energy at 0K	-351.152145
Energy at 298.15K	-351.155387
HF Energy	-351.152145
Nuclear repulsion energy	175.258059

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3541	3160	34.87
2	A	1691	1509	33.98
3	A	1483	1323	17.59
4	A	1283	1145	84.94
5	A	1195	1066	4.09
6	A	800	714	30.79
7	A	597	533	4.32
8	A	542	484	7.44
9	A	420	374	1.05
10	A	315	281	41.51
11	A	251	224	7.67
12	A	127	114	5.83

Atom	x (Å)	y (Å)	z (Å)
N1	0.631	0.074	-0.003
O2	-0.662	-0.884	0.024
O3	-1.763	0.012	-0.127
O4	1.757	-0.577	0.003
O5	0.357	1.347	-0.006
H6	-1.931	0.299	0.864

	N1	O2	O3	O4	O5	H6
N1		1.6094	2.3984	1.3000	1.3019	2.7138
O2	1.6094		1.4279	2.4379	2.4527	1.9271
O3	2.3984	1.4279		3.5710	2.5085	1.0448
O4	1.3000	2.4379	3.5710		2.3787	3.8864
O5	1.3019	2.4527	2.5085	2.3787		2.6624
H6	2.7138	1.9271	1.0448	3.8864	2.6624

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	104.143	O2	N1	O4	113.418
O2	N1	O5	114.390	O2	O3	H6	101.275
O4	N1	O5	132.182

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

using model chemistry: B3LYP/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	0.132
2	O	-0.019
3	O	-0.125
4	O	-0.087
5	O	-0.096
6	H	0.195

	x	y	z	Total
	-1.163	0.187	1.282	1.741
CHELPG
AIM
ESP

	x	y	z
x	4.299	-0.472	-0.312
y	-0.472	2.530	0.119
z	-0.312	0.119	0.935

<r²>	99.886
(<r²>)^1/2	9.994

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

using model chemistry: B3LYP/STO-3G

States and conformations

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