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	hartrees
Energy at 0K	-352.726977
Energy at 298.15K	-352.730664
HF Energy	-352.178267
Nuclear repulsion energy	181.290024

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3579	3331	28.82
2	A	1546	1439	202.29
3	A	1449	1348	95.04
4	A	1187	1104	215.40
5	A	1068	994	2.38
6	A	860	800	104.78
7	A	704	655	12.30
8	A	660	614	11.13
9	A	514	479	0.24
10	A	355	330	17.49
11	A	227	211	111.35
12	A	112	104	26.06

Atom	x (Å)	y (Å)	z (Å)
N1	0.616	0.077	0.003
O2	-0.588	-0.840	0.146
O3	-1.761	-0.020	-0.190
O4	1.666	-0.561	-0.068
O5	0.378	1.289	0.030
H6	-1.869	0.526	0.629

	N1	O2	O3	O4	O5	H6
N1		1.5204	2.3868	1.2307	1.2351	2.6020
O2	1.5204		1.4703	2.2810	2.3408	1.9345
O3	2.3868	1.4703		3.4714	2.5172	0.9899
O4	1.2307	2.2810	3.4714		2.2564	3.7637
O5	1.2351	2.3408	2.5172	2.2564		2.4474
H6	2.6020	1.9345	0.9899	3.7637	2.4474

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	105.878	O2	N1	O4	111.576
O2	N1	O5	115.926	O2	O3	H6	101.905
O4	N1	O5	132.430

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

using model chemistry: CID/3-21G*

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

using model chemistry: CID/3-21G*

States and conformations

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