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	hartrees
Energy at 0K	-355.696697
Energy at 298.15K	-355.700371
HF Energy	-355.696697
Nuclear repulsion energy	182.204979

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3576	3527	25.00
2	A	1809	1785	287.81
3	A	1382	1363	56.90
4	A	1341	1322	208.47
5	A	963	950	60.88
6	A	775	765	80.09
7	A	691	681	10.99
8	A	622	614	6.83
9	A	391	386	23.23
10	A	358	354	56.25
11	A	279	275	13.68
12	A	159	156	10.48

Atom	x (Å)	y (Å)	z (Å)
N1	0.650	0.081	-0.002
O2	-0.656	-0.805	0.040
O3	-1.765	0.039	-0.130
O4	1.630	-0.622	-0.006
O5	0.466	1.274	-0.000
H6	-1.944	0.343	0.789

	N1	O2	O3	O4	O5	H6
N1		1.5786	2.4188	1.2073	1.2066	2.7240
O2	1.5786		1.4043	2.2943	2.3624	1.8808
O3	2.4188	1.4043		3.4620	2.5533	0.9845
O4	1.2073	2.2943	3.4620		2.2255	3.7868
O5	1.2066	2.3624	2.5533	2.2255		2.7008
H6	2.7240	1.8808	0.9845	3.7868	2.7008

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	108.226	O2	N1	O4	110.173
O2	N1	O5	115.386	O2	O3	H6	102.449
O4	N1	O5	134.427

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

using model chemistry: PBEPBE/6-31G**

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	0.660
2	O	-0.180
3	O	-0.242
4	O	-0.288
5	O	-0.292
6	H	0.342

	x	y	z	Total
	-1.195	0.613	1.518	2.027
CHELPG
AIM
ESP

	x	y	z
x	5.905	-0.445	-0.187
y	-0.445	4.026	0.089
z	-0.187	0.089	2.018

<r²>	96.797
(<r²>)^1/2	9.839

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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