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	hartrees
Energy at 0K	-352.181319
Energy at 298.15K	-352.185089
HF Energy	-352.181319
Nuclear repulsion energy	184.806580

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3758	3392	80.64
2	A	1537	1387	23.67
3	A	1477	1333	445.00
4	A	1254	1132	222.00
5	A	1149	1037	21.91
6	A	920	831	78.08
7	A	755	681	26.00
8	A	696	628	20.54
9	A	557	503	7.57
10	A	379	342	15.70
11	A	192	173	129.67
12	A	116	105	40.41

Atom	x (Å)	y (Å)	z (Å)
N1	0.598	0.067	0.006
O2	-0.566	-0.806	0.178
O3	-1.736	-0.040	-0.201
O4	1.631	-0.554	-0.087
O5	0.377	1.268	0.037
H6	-1.831	0.588	0.541

	N1	O2	O3	O4	O5	H6
N1		1.4644	2.3457	1.2089	1.2211	2.5406
O2	1.4644		1.4490	2.2266	2.2819	1.9167
O3	2.3457	1.4490		3.4080	2.4966	0.9762
O4	1.2089	2.2266	3.4080		2.2148	3.6987
O5	1.2211	2.2819	2.4966	2.2148		2.3645
H6	2.5406	1.9167	0.9762	3.6987	2.3645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	107.249	O2	N1	O4	112.448
O2	N1	O5	116.065	O2	O3	H6	102.681
O4	N1	O5	131.407

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

using model chemistry: HF/3-21G*

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	0.723
2	O	-0.155
3	O	-0.312
4	O	-0.325
5	O	-0.373
6	H	0.443

	x	y	z	Total
	-1.748	0.922	1.520	2.493
CHELPG
AIM
ESP

	x	y	z
x	4.822	-0.995	-0.089
y	-0.995	3.501	0.159
z	-0.089	0.159	1.061

<r²>	94.035
(<r²>)^1/2	9.697

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

using model chemistry: HF/3-21G*

States and conformations

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