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	hartrees
Energy at 0K	-356.107216
Energy at 298.15K	-356.110798
HF Energy	-356.107216
Nuclear repulsion energy	179.719476

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3494	3485	16.02
2	A	1728	1724	311.38
3	A	1395	1391	48.03
4	A	1294	1290	234.10
5	A	916	914	77.34
6	A	773	771	76.95
7	A	666	664	14.56
8	A	584	582	4.98
9	A	390	389	81.89
10	A	353	352	11.44
11	A	257	257	2.99
12	A	150	149	9.53

Atom	x (Å)	y (Å)	z (Å)
N1	0.682	0.080	0.000
O2	-0.704	-0.809	0.038
O3	-1.800	0.072	-0.132
O4	1.640	-0.649	-0.007
O5	0.520	1.273	0.002
H6	-2.017	0.341	0.790

	N1	O2	O3	O4	O5	H6
N1		1.6467	2.4853	1.2042	1.2040	2.8241
O2	1.6467		1.4166	2.3497	2.4156	1.9006
O3	2.4853	1.4166		3.5170	2.6164	0.9842
O4	1.2042	2.3497	3.5170		2.2246	3.8719
O5	1.2040	2.4156	2.6164	2.2246		2.8160
H6	2.8241	1.9006	0.9842	3.8719	2.8160

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	108.221	O2	N1	O4	110.049
O2	N1	O5	114.977	O2	O3	H6	103.205
O4	N1	O5	134.968

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	N	0.387
2	O	-0.147
3	O	-0.322
4	O	-0.160
5	O	-0.158
6	H	0.399

	x	y	z	Total
	-0.996	0.730	1.656	2.066
CHELPG
AIM
ESP

	x	y	z
x	6.358	-0.453	-0.208
y	-0.453	4.197	0.078
z	-0.208	0.078	1.899

<r²>	100.145
(<r²>)^1/2	10.007

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

using model chemistry: BLYP/6-311G*

States and conformations

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