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	hartrees
Energy at 0K	-356.113320
Energy at 298.15K	-356.116904
HF Energy	-356.113320
Nuclear repulsion energy	179.787173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3551	3537	31.78
2	A	1728	1721	311.42
3	A	1359	1354	49.09
4	A	1293	1288	231.05
5	A	913	910	76.30
6	A	773	770	77.35
7	A	665	662	12.77
8	A	584	582	4.83
9	A	380	379	75.75
10	A	355	354	10.67
11	A	259	258	3.30
12	A	149	149	9.09

Atom	x (Å)	y (Å)	z (Å)
N1	0.680	0.080	0.000
O2	-0.701	-0.809	0.039
O3	-1.801	0.071	-0.132
O4	1.639	-0.648	-0.008
O5	0.518	1.273	0.002
H6	-2.003	0.341	0.791

	N1	O2	O3	O4	O5	H6
N1		1.6434	2.4853	1.2043	1.2039	2.8099
O2	1.6434		1.4188	2.3464	2.4133	1.8927
O3	2.4853	1.4188		3.5172	2.6165	0.9820
O4	1.2043	2.3464	3.5172		2.2245	3.8580
O5	1.2039	2.4133	2.6165	2.2245		2.8022
H6	2.8099	1.8927	0.9820	3.8580	2.8022

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	108.285	O2	N1	O4	110.012
O2	N1	O5	115.023	O2	O3	H6	102.540
O4	N1	O5	134.958

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

using model chemistry: BLYP/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	0.386
2	O	-0.157
3	O	-0.182
4	O	-0.160
5	O	-0.158
6	H	0.271

	x	y	z	Total
	-0.982	0.718	1.561	1.979
CHELPG
AIM
ESP

	x	y	z
x	6.374	-0.447	-0.202
y	-0.447	4.223	0.073
z	-0.202	0.073	1.924

<r²>	100.038
(<r²>)^1/2	10.002

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

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

States and conformations

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