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	hartrees
Energy at 0K	-350.863899
Energy at 298.15K	-350.867002
HF Energy	-350.863899
Nuclear repulsion energy	173.250172

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3366	3076	45.20
2	A	1672	1528	25.90
3	A	1429	1306	10.88
4	A	1267	1158	79.84
5	A	1167	1066	9.64
6	A	749	684	24.68
7	A	575	525	2.09
8	A	542	495	10.22
9	A	382	349	0.85
10	A	281	257	31.23
11	A	220	201	6.25
12	A	141	129	5.89

Atom	x (Å)	y (Å)	z (Å)
N1	0.655	0.073	-0.008
O2	-0.701	-0.903	0.016
O3	-1.777	0.025	-0.120
O4	1.788	-0.577	0.010
O5	0.357	1.348	-0.010
H6	-1.915	0.337	0.882

	N1	O2	O3	O4	O5	H6
N1		1.6702	2.4347	1.3060	1.3096	2.7324
O2	1.6702		1.4273	2.5101	2.4873	1.9388
O3	2.4347	1.4273		3.6176	2.5136	1.0582
O4	1.3060	2.5101	3.6176		2.3980	3.9124
O5	1.3096	2.4873	2.5136	2.3980		2.6426
H6	2.7324	1.9388	1.0582	3.9124	2.6426

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	103.352	O2	N1	O4	114.444
O2	N1	O5	112.615	O2	O3	H6	101.493
O4	N1	O5	132.919

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

using model chemistry: PBEPBE/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	0.095
2	O	-0.020
3	O	-0.109
4	O	-0.073
5	O	-0.083
6	H	0.190

	x	y	z	Total
	-1.123	0.266	1.238	1.692
CHELPG
AIM
ESP

	x	y	z
x	4.638	-0.400	-0.327
y	-0.400	2.560	0.130
z	-0.327	0.130	0.955

<r²>	101.915
(<r²>)^1/2	10.095

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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