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	hartrees
Energy at 0K	-356.038855
Energy at 298.15K	-356.042571
HF Energy	-356.038855
Nuclear repulsion energy	183.705332

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3673	3536	49.18
2	A	1807	1740	389.33
3	A	1406	1353	56.80
4	A	1349	1299	231.10
5	A	979	942	52.80
6	A	785	755	107.27
7	A	714	688	9.91
8	A	635	611	9.54
9	A	419	403	16.29
10	A	352	339	77.81
11	A	291	280	15.05
12	A	144	139	13.60

Atom	x (Å)	y (Å)	z (Å)
N1	0.599	0.071	-0.000
O2	-0.571	-0.751	0.090
O3	-1.750	-0.025	-0.151
O4	1.594	-0.607	-0.031
O5	0.444	1.266	0.006
H6	-1.933	0.433	0.691

	N1	O2	O3	O4	O5	H6
N1		1.4329	2.3556	1.2040	1.2055	2.6501
O2	1.4329		1.4049	2.1732	2.2597	1.9021
O3	2.3556	1.4049		3.3959	2.5501	0.9758
O4	1.2040	2.1732	3.3959		2.1985	3.7475
O5	1.2055	2.2597	2.5501	2.1985		2.6104
H6	2.6501	1.9021	0.9758	3.7475	2.6104

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	112.209	O2	N1	O4	110.703
O2	N1	O5	117.579	O2	O3	H6	104.613
O4	N1	O5	131.677

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

using model chemistry: TPSSh/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	-0.074
2	O	0.111
3	O	-0.352
4	O	-0.027
5	O	-0.033
6	H	0.376

	x	y	z	Total
	-1.375	0.541	1.593	2.172
CHELPG
AIM
ESP

	x	y	z
x	6.586	-0.377	-0.121
y	-0.377	4.855	0.041
z	-0.121	0.041	2.665

<r²>	96.034
(<r²>)^1/2	9.800

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

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

States and conformations

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