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	hartrees
Energy at 0K	-354.238294
Energy at 298.15K	-354.242560
HF Energy	-354.238294
Nuclear repulsion energy	193.681566

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4092	3705	93.22
2	A	1941	1758	676.07
3	A	1632	1478	98.45
4	A	1566	1418	256.02
5	A	1234	1117	3.44
6	A	1055	956	150.16
7	A	920	833	26.35
8	A	832	753	7.41
9	A	662	600	1.01
10	A	440	398	16.49
11	A	307	278	98.43
12	A	149	135	18.53

Atom	x (Å)	y (Å)	z (Å)
N1	0.566	0.064	0.001
O2	-0.540	-0.736	0.087
O3	-1.676	-0.031	-0.145
O4	1.548	-0.564	-0.030
O5	0.403	1.221	0.005
H6	-1.842	0.433	0.664

	N1	O2	O3	O4	O5	H6
N1		1.3670	2.2482	1.1667	1.1683	2.5243
O2	1.3670		1.3570	2.0982	2.1734	1.8426
O3	2.2482	1.3570		3.2699	2.4312	0.9475
O4	1.1667	2.0982	3.2699		2.1213	3.6013
O5	1.1683	2.1734	2.4312	2.1213		2.4687
H6	2.5243	1.8426	0.9475	3.6013	2.4687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	111.242	O2	N1	O4	111.565
O2	N1	O5	117.809	O2	O3	H6	104.772
O4	N1	O5	130.592

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

using model chemistry: HF/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	1.192
2	O	-0.319
3	O	-0.256
4	O	-0.490
5	O	-0.502
6	H	0.376

	x	y	z	Total
	-2.023	0.452	1.398	2.500
CHELPG
AIM
ESP

	x	y	z
x	4.733	-0.653	-0.086
y	-0.653	3.791	0.082
z	-0.086	0.082	2.209

<r²>	87.399
(<r²>)^1/2	9.349

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

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

States and conformations

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