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	hartrees
Energy at 0K	-355.880873
Energy at 298.15K	-355.884959
HF Energy	-355.880873
Nuclear repulsion energy	188.049388

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3779	3598	78.51
2	A	1870	1781	495.35
3	A	1464	1394	83.17
4	A	1427	1359	222.22
5	A	1084	1032	13.54
6	A	871	830	164.70
7	A	787	749	13.75
8	A	723	689	7.50
9	A	555	528	6.90
10	A	410	390	58.39
11	A	335	319	52.24
12	A	164	156	11.47

Atom	x (Å)	y (Å)	z (Å)
N1	0.597	0.074	0.000
O2	-0.577	-0.769	0.079
O3	-1.714	-0.008	-0.150
O4	1.589	-0.587	-0.027
O5	0.420	1.252	0.008
H6	-1.914	0.377	0.720

	N1	O2	O3	O4	O5	H6
N1		1.4480	2.3177	1.1916	1.1920	2.6294
O2	1.4480		1.3868	2.1762	2.2552	1.8734
O3	2.3177	1.3868		3.3552	2.4834	0.9723
O4	1.1916	2.1762	3.3552		2.1796	3.7083
O5	1.1920	2.2552	2.4834	2.1796		2.5919
H6	2.6294	1.8734	0.9723	3.7083	2.5919

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	109.669	O2	N1	O4	110.692
O2	N1	O5	117.028	O2	O3	H6	103.744
O4	N1	O5	132.250

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

using model chemistry: M06-2X/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	0.059
2	O	0.087
3	O	-0.337
4	O	-0.084
5	O	-0.113
6	H	0.388

	x	y	z	Total
	-1.692	0.537	1.546	2.354
CHELPG
AIM
ESP

	x	y	z
x	5.758	-0.560	-0.106
y	-0.560	4.577	0.058
z	-0.106	0.058	2.544

<r²>	92.108
(<r²>)^1/2	9.597

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

using model chemistry: M06-2X/6-31+G**

States and conformations

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