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	hartrees
Energy at 0K	-354.335420
Energy at 298.15K	-354.339649
HF Energy	-354.335420
Nuclear repulsion energy	190.057105

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3171	3121	91.82
2	A	1830	1801	214.87
3	A	1487	1463	221.56
4	A	1317	1296	140.17
5	A	1022	1006	52.04
6	A	839	826	81.98
7	A	751	739	6.06
8	A	731	720	31.18
9	A	552	543	4.38
10	A	439	432	52.95
11	A	406	400	12.60
12	A	212	209	6.48

Atom	x (Å)	y (Å)	z (Å)
N1	-0.576	0.062	-0.000
O2	0.539	-0.817	0.001
O3	1.712	-0.078	-0.001
O4	-1.621	-0.509	-0.000
O5	-0.291	1.243	0.000
H6	1.317	0.852	0.003

	N1	O2	O3	O4	O5	H6
N1		1.4192	2.2916	1.1909	1.2149	2.0513
O2	1.4192		1.3864	2.1816	2.2203	1.8414
O3	2.2916	1.3864		3.3604	2.3983	1.0097
O4	1.1909	2.1816	3.3604		2.1995	3.2380
O5	1.2149	2.2203	2.3983	2.1995		1.6546
H6	2.0513	1.8414	1.0097	3.2380	1.6546

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	109.524	O2	N1	O4	113.121
O2	N1	O5	114.676	O2	O3	H6	99.238
O4	N1	O5	132.204

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	N	0.738
2	O	-0.146
3	O	-0.280
4	O	-0.294
5	O	-0.369
6	H	0.351

	x	y	z	Total
	0.427	0.866	0.004	0.966
CHELPG
AIM
ESP

	x	y	z
x	5.966	0.310	0.000
y	0.310	4.060	0.001
z	0.000	0.001	2.104

<r²>	89.181
(<r²>)^1/2	9.444

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

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

States and conformations

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