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	hartrees
Energy at 0K	-354.328085
Energy at 298.15K	-354.332318
HF Energy	-354.328085
Nuclear repulsion energy	189.315838

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3101	3067	103.11
2	A	1843	1823	223.45
3	A	1474	1458	205.72
4	A	1315	1301	150.13
5	A	1006	995	59.39
6	A	816	807	69.80
7	A	743	735	13.33
8	A	726	718	46.59
9	A	532	526	8.57
10	A	464	459	55.65
11	A	408	404	13.53
12	A	214	212	5.71

Atom	x (Å)	y (Å)	z (Å)
N1	0.583	0.062	-0.000
O2	-0.549	-0.823	0.000
O3	-1.718	-0.072	-0.000
O4	1.628	-0.510	-0.000
O5	0.291	1.244	0.000
H6	-1.305	0.857	0.001

	N1	O2	O3	O4	O5	H6
N1		1.4374	2.3051	1.1910	1.2170	2.0491
O2	1.4374		1.3891	2.1990	2.2311	1.8427
O3	2.3051	1.3891		3.3740	2.4019	1.0171
O4	1.1910	2.1990	3.3740		2.2051	3.2361
O5	1.2170	2.2311	2.4019	2.2051		1.6427
H6	2.0491	1.8427	1.0171	3.2361	1.6427

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	109.265	O2	N1	O4	113.240
O2	N1	O5	114.142	O2	O3	H6	98.783
O4	N1	O5	132.619

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

using model chemistry: LSDA/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	0.314
2	O	-0.062
3	O	-0.124
4	O	-0.134
5	O	-0.192
6	H	0.199

	x	y	z	Total
	-0.276	0.939	0.001	0.979
CHELPG
AIM
ESP

	x	y	z
x	5.741	-0.398	-0.000
y	-0.398	3.754	0.000
z	-0.000	0.000	1.380

<r²>	89.930
(<r²>)^1/2	9.483

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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