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	hartrees
Energy at 0K	-355.328478
Energy at 298.15K	-355.332472
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3800	3593	52.00
2	A	1851	1751	406.64
3	A	1493	1411	71.38
4	A	1408	1331	196.40
5	A	1028	972	9.08
6	A	878	830	137.83
7	A	795	752	12.14
8	A	723	684	3.64
9	A	558	527	3.05
10	A	389	368	22.45
11	A	301	284	69.44
12	A	142	134	15.14

Atom	x (Å)	y (Å)	z (Å)
N1	0.580	0.074	-0.000
O2	-0.544	-0.769	0.084
O3	-1.701	-0.033	-0.147
O4	1.583	-0.567	-0.029
O5	0.385	1.251	0.005
H6	-1.847	0.423	0.692

	N1	O2	O3	O4	O5	H6
N1		1.4076	2.2875	1.1910	1.1926	2.5479
O2	1.4076		1.3895	2.1401	2.2247	1.8678
O3	2.2875	1.3895		3.3288	2.4542	0.9662
O4	1.1910	2.1401	3.3288		2.1770	3.6425
O5	1.1926	2.2247	2.4542	2.1770		2.4782
H6	2.5479	1.8678	0.9662	3.6425	2.4782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	109.731	O2	N1	O4	110.611
O2	N1	O5	117.412	O2	O3	H6	103.442
O4	N1	O5	131.942

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

using model chemistry: CCSD/6-31G(2df,p)

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: CCSD/6-31G(2df,p)

States and conformations

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