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	hartrees
Energy at 0K	-355.913286
Energy at 298.15K	-355.917230
HF Energy	-355.913286
Nuclear repulsion energy	187.118123

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3801	3621	66.66
2	A	1855	1767	454.20
3	A	1457	1387	69.02
4	A	1405	1338	231.87
5	A	1063	1012	23.24
6	A	839	799	149.55
7	A	764	728	12.30
8	A	704	670	8.85
9	A	521	497	11.58
10	A	376	359	43.40
11	A	315	300	58.98
12	A	137	130	15.69

Atom	x (Å)	y (Å)	z (Å)
N1	0.590	0.069	0.000
O2	-0.566	-0.746	0.090
O3	-1.728	-0.025	-0.152
O4	1.583	-0.598	-0.031
O5	0.435	1.256	0.007
H6	-1.920	0.422	0.688

	N1	O2	O3	O4	O5	H6
N1		1.4172	2.3242	1.1962	1.1978	2.6260
O2	1.4172		1.3885	2.1571	2.2405	1.8854
O3	2.3242	1.3885		3.3615	2.5184	0.9701
O4	1.1962	2.1571	3.3615		2.1812	3.7180
O5	1.1978	2.2405	2.5184	2.1812		2.5893
H6	2.6260	1.8854	0.9701	3.7180	2.5893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	111.869	O2	N1	O4	110.980
O2	N1	O5	117.668	O2	O3	H6	104.751
O4	N1	O5	131.312

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

using model chemistry: wB97X-D/cc-pVDZ

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	0.037
2	O	0.101
3	O	-0.354
4	O	-0.075
5	O	-0.093
6	H	0.384

	x	y	z	Total
	-1.685	0.460	1.597	2.366
CHELPG
AIM
ESP

	x	y	z
x	5.977	-0.491	-0.106
y	-0.491	4.666	0.044
z	-0.106	0.044	2.579

<r²>	92.946
(<r²>)^1/2	9.641

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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