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	hartrees
Energy at 0K	-356.013146
Energy at 298.15K
HF Energy	-356.013146
Nuclear repulsion energy	189.192508

Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
A	148	148	12.60	0.23	0.71	0.83
A	318	318	65.40	1.56	0.47	0.64
A	396	396	30.15	1.16	0.39	0.56
A	564	564	7.30	10.43	0.28	0.44
A	735	735	6.67	4.26	0.72	0.84
A	804	804	12.61	0.17	0.62	0.76
A	883	883	164.10	8.79	0.11	0.19
A	1095	1095	11.84	5.82	0.18	0.31
A	1415	1415	221.12	11.56	0.21	0.35
A	1481	1481	73.82	5.09	0.37	0.54
A	1845	1845	499.10	2.87	0.71	0.83
A	3798	3798	71.79	60.02	0.20	0.33

Atom	x (Å)	y (Å)	z (Å)
N1	0.596	0.074	-0.001
O2	-0.575	-0.765	0.070
O3	-1.708	-0.009	-0.142
O4	1.579	-0.583	-0.021
O5	0.418	1.243	0.004
H6	-1.883	0.396	0.719

	N1	O2	O3	O4	O5	H6
N1		1.4420	2.3098	1.1825	1.1825	2.6017
O2	1.4420		1.3792	2.1635	2.2414	1.8661
O3	2.3098	1.3792		3.3392	2.4719	0.9678
O4	1.1825	2.1635	3.3392		2.1635	3.6736
O5	1.1825	2.2414	2.4719	2.1635		2.5550
H6	2.6017	1.8661	0.9678	3.6736	2.5550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	109.894	O2	N1	O4	110.656
O2	N1	O5	116.963	O2	O3	H6	103.952
O4	N1	O5	132.354

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

using model chemistry: M06-2X/6-311+G(3df,2p)

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	1.125
2	O	-0.207
3	O	-0.241
4	O	-0.479
5	O	-0.479
6	H	0.282

	x	y	z	Total
	-1.607	0.521	1.400	2.194
CHELPG
AIM
ESP

	x	y	z
x	5.927	-0.481	-0.111
y	-0.481	4.700	0.057
z	-0.111	0.057	2.869

<r²>	91.126
(<r²>)^1/2	9.546

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

using model chemistry: M06-2X/6-311+G(3df,2p)

States and conformations

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