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	hartrees
Energy at 0K	-355.981802
Energy at 298.15K	-355.985501
HF Energy	-355.981802
Nuclear repulsion energy	182.851064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3627	3580	36.37
2	A	1792	1768	366.17
3	A	1404	1385	49.86
4	A	1329	1312	225.47
5	A	949	936	73.82
6	A	786	776	90.65
7	A	705	696	9.18
8	A	613	605	6.19
9	A	390	385	80.77
10	A	372	367	9.18
11	A	279	275	2.27
12	A	154	152	8.45

Atom	x (Å)	y (Å)	z (Å)
N1	0.663	0.081	-0.001
O2	-0.677	-0.790	0.032
O3	-1.773	0.059	-0.125
O4	1.610	-0.641	-0.003
O5	0.507	1.258	-0.002
H6	-1.972	0.334	0.788

	N1	O2	O3	O4	O5	H6
N1		1.5985	2.4396	1.1897	1.1881	2.7627
O2	1.5985		1.3952	2.2917	2.3657	1.8741
O3	2.4396	1.3952		3.4563	2.5785	0.9743
O4	1.1897	2.2917	3.4563		2.1961	3.7951
O5	1.1881	2.3657	2.5785	2.1961		2.7608
H6	2.7627	1.8741	0.9743	3.7951	2.7608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	108.967	O2	N1	O4	109.680
O2	N1	O5	115.404	O2	O3	H6	103.104
O4	N1	O5	134.909

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	0.861
2	O	-0.179
3	O	-0.162
4	O	-0.375
5	O	-0.371
6	H	0.226

	x	y	z	Total
	-1.072	0.653	1.416	1.892
CHELPG
AIM
ESP

	x	y	z
x	7.231	-0.212	-0.131
y	-0.212	5.156	0.044
z	-0.131	0.044	3.112

<r²>	97.245
(<r²>)^1/2	9.861

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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