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	hartrees
Energy at 0K	-350.879649
Energy at 298.15K	-350.883000
HF Energy	-350.879649
Nuclear repulsion energy	177.270931

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3634	3209	28.00
2	A	1771	1564	39.79
3	A	1519	1341	19.95
4	A	1330	1174	89.14
5	A	1232	1088	4.12
6	A	832	735	35.06
7	A	623	550	5.35
8	A	567	501	7.15
9	A	441	390	1.13
10	A	327	289	43.58
11	A	263	233	10.34
12	A	130	115	6.44

Atom	x (Å)	y (Å)	z (Å)
N1	0.622	0.074	-0.003
O2	-0.647	-0.870	0.027
O3	-1.745	0.006	-0.128
O4	1.734	-0.573	0.001
O5	0.353	1.335	-0.005
H6	-1.915	0.298	0.853

	N1	O2	O3	O4	O5	H6
N1		1.5824	2.3710	1.2873	1.2890	2.6866
O2	1.5824		1.4129	2.4003	2.4219	1.9116
O3	2.3710	1.4129		3.5295	2.4867	1.0373
O4	1.2873	2.4003	3.5295		2.3557	3.8475
O5	1.2890	2.4219	2.4867	2.3557		2.6376
H6	2.6866	1.9116	1.0373	3.8475	2.6376

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	104.526	O2	N1	O4	113.127
O2	N1	O5	114.630	O2	O3	H6	101.457
O4	N1	O5	132.232

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

using model chemistry: HSEh1PBE/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	0.146
2	O	-0.021
3	O	-0.131
4	O	-0.093
5	O	-0.103
6	H	0.202

	x	y	z	Total
	-1.202	0.185	1.307	1.785
CHELPG
AIM
ESP

	x	y	z
x	4.091	-0.481	-0.294
y	-0.481	2.466	0.117
z	-0.294	0.117	0.908

<r²>	98.002
(<r²>)^1/2	9.900

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

using model chemistry: HSEh1PBE/STO-3G

States and conformations

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