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	hartrees
Energy at 0K	-355.248405
Energy at 298.15K	-355.252432
HF Energy	-354.282116
Nuclear repulsion energy	188.294029

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3790	3620	30.53
2	A	1922	1836	461.81
3	A	1526	1457	72.77
4	A	1428	1364	217.75
5	A	1062	1014	9.81
6	A	886	846	162.29
7	A	790	755	13.95
8	A	727	695	10.77
9	A	559	534	6.65
10	A	404	386	60.35
11	A	325	310	58.37
12	A	131	126	13.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.600	0.075	0.002
O2	-0.580	-0.765	0.093
O3	-1.713	-0.002	-0.160
O4	1.579	-0.594	-0.036
O5	0.433	1.249	0.014
H6	-1.939	0.372	0.700

	N1	O2	O3	O4	O5	H6
N1		1.4511	2.3201	1.1858	1.1862	2.6495
O2	1.4511		1.3891	2.1697	2.2558	1.8726
O3	2.3201	1.3891		3.3471	2.4903	0.9647
O4	1.1858	2.1697	3.3471		2.1702	3.7210
O5	1.1862	2.2558	2.4903	2.1702		2.6198
H6	2.6495	1.8726	0.9647	3.7210	2.6198

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	109.523	O2	N1	O4	110.334
O2	N1	O5	117.238	O2	O3	H6	103.959
O4	N1	O5	132.392

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

using model chemistry: CCD/6-311G*

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: CCD/6-311G*

States and conformations

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