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	hartrees
Energy at 0K	-356.026583
Energy at 298.15K	-356.030098
HF Energy	-356.026583
Nuclear repulsion energy	179.146415

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3537	3518	42.42
2	A	1717	1708	338.64
3	A	1344	1337	49.18
4	A	1287	1281	225.41
5	A	910	905	81.11
6	A	752	748	80.06
7	A	657	653	11.20
8	A	578	575	4.30
9	A	364	362	36.86
10	A	351	350	52.16
11	A	255	254	2.10
12	A	141	141	10.38

Atom	x (Å)	y (Å)	z (Å)
N1	0.676	0.080	0.002
O2	-0.695	-0.806	0.033
O3	-1.808	0.069	-0.130
O4	1.642	-0.655	-0.006
O5	0.524	1.283	0.001
H6	-2.037	0.305	0.801

	N1	O2	O3	O4	O5	H6
N1		1.6330	2.4878	1.2139	1.2121	2.8376
O2	1.6330		1.4251	2.3421	2.4182	1.9038
O3	2.4878	1.4251		3.5273	2.6315	0.9872
O4	1.2139	2.3421	3.5273		2.2376	3.8868
O5	1.2121	2.4182	2.6315	2.2376		2.8552
H6	2.8376	1.9038	0.9872	3.8868	2.8552

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	108.690	O2	N1	O4	109.832
O2	N1	O5	115.616	O2	O3	H6	102.708
O4	N1	O5	134.549

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

using model chemistry: BLYP/6-31+G**

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	-0.125
2	O	0.090
3	O	-0.332
4	O	0.006
5	O	0.003
6	H	0.358

	x	y	z	Total
	-1.158	0.653	1.586	2.069
CHELPG
AIM
ESP

	x	y	z
x	7.486	-0.265	-0.127
y	-0.265	5.217	0.038
z	-0.127	0.038	2.846

<r²>	101.043
(<r²>)^1/2	10.052

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

using model chemistry: BLYP/6-31+G**

States and conformations

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