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	hartrees
Energy at 0K	-351.141754
Energy at 298.15K	-351.145356
HF Energy	-351.141754
Nuclear repulsion energy	179.160022

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3729	3729	21.16
2	A	1785	1785	54.80
3	A	1555	1555	24.59
4	A	1353	1353	78.41
5	A	1266	1266	6.78
6	A	900	900	33.57
7	A	635	635	9.59
8	A	588	588	10.83
9	A	476	476	1.14
10	A	450	450	59.66
11	A	301	301	2.51
12	A	134	134	3.64

Atom	x (Å)	y (Å)	z (Å)
N1	0.603	0.074	-0.003
O2	-0.615	-0.868	0.035
O3	-1.724	-0.011	-0.131
O4	1.723	-0.551	-0.002
O5	0.324	1.327	-0.004
H6	-1.881	0.309	0.838

	N1	O2	O3	O4	O5	H6
N1		1.5403	2.3322	1.2822	1.2838	2.6329
O2	1.5403		1.4110	2.3600	2.3876	1.9056
O3	2.3322	1.4110		3.4914	2.4495	1.0321
O4	1.2822	2.3600	3.4914		2.3414	3.7989
O5	1.2838	2.3876	2.4495	2.3414		2.5701
H6	2.6329	1.9056	1.0321	3.7989	2.5701

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	104.326	O2	N1	O4	113.149
O2	N1	O5	115.132	O2	O3	H6	101.391
O4	N1	O5	131.703

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

using model chemistry: M06-2X/STO-3G

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	0.173
2	O	-0.022
3	O	-0.135
4	O	-0.105
5	O	-0.117
6	H	0.206

	x	y	z	Total
	-1.259	0.154	1.332	1.839
CHELPG
AIM
ESP

	x	y	z
x	3.872	-0.581	-0.279
y	-0.581	2.463	0.130
z	-0.279	0.130	0.899

<r²>	96.070
(<r²>)^1/2	9.802

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

using model chemistry: M06-2X/STO-3G

States and conformations

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