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	hartrees
Energy at 0K	-72.581882
Energy at 298.15K	-72.585840
HF Energy	-72.581882
Nuclear repulsion energy	103.692140

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3979	3587	105.27
2	A	1619	1459	513.42
3	A	1545	1393	171.71
4	A	1380	1244	197.63
5	A	1120	1010	9.22
6	A	956	862	86.57
7	A	773	697	21.45
8	A	703	634	13.72
9	A	582	525	10.86
10	A	389	350	50.10
11	A	291	262	130.67
12	A	118	107	13.55

Atom	x (Å)	y (Å)	z (Å)
N1	0.584	0.055	0.014
O2	-0.580	-0.742	0.196
O3	-1.737	-0.039	-0.219
O4	1.608	-0.612	-0.094
O5	0.449	1.286	0.036
H6	-2.018	0.474	0.549

	N1	O2	O3	O4	O5	H6
N1		1.4224	2.3346	1.2269	1.2382	2.6896
O2	1.4224		1.4152	2.2106	2.2792	1.9162
O3	2.3346	1.4152		3.3956	2.5689	0.9657
O4	1.2269	2.2106	3.3956		2.2277	3.8395
O5	1.2382	2.2792	2.5689	2.2277		2.6476
H6	2.6896	1.9162	0.9657	3.8395	2.6476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	110.722	O2	N1	O4	112.905
O2	N1	O5	117.728	O2	O3	H6	105.629
O4	N1	O5	129.306

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

using model chemistry: HF/CEP-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	0.136
2	O	-0.062
3	O	-0.276
4	O	-0.093
5	O	-0.119
6	H	0.414

	x	y	z	Total
	-2.586	0.675	1.736	3.187
CHELPG
AIM
ESP

	x	y	z
x	5.414	-1.217	-0.099
y	-1.217	4.350	0.153
z	-0.099	0.153	1.547

<r²>	77.076
(<r²>)^1/2	8.779

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

using model chemistry: HF/CEP-31G

States and conformations

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