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	hartrees
Energy at 0K	-349.467116
Energy at 298.15K	-349.470737
HF Energy	-349.467116
Nuclear repulsion energy	182.832236

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4125	3368	12.93
2	A	1791	1463	209.80
3	A	1700	1388	31.16
4	A	1471	1201	28.65
5	A	1439	1175	41.61
6	A	1051	858	18.43
7	A	687	561	22.77
8	A	606	495	9.43
9	A	532	434	11.69
10	A	366	298	24.19
11	A	300	245	55.66
12	A	106	86	7.09

Atom	x (Å)	y (Å)	z (Å)
N1	0.576	0.064	0.003
O2	-0.592	-0.818	0.071
O3	-1.701	-0.019	-0.155
O4	1.671	-0.569	-0.024
O5	0.361	1.314	0.010
H6	-1.937	0.294	0.770

	N1	O2	O3	O4	O5	H6
N1		1.4649	2.2843	1.2648	1.2684	2.6378
O2	1.4649		1.3856	2.2783	2.3357	1.8799
O3	2.2843	1.3856		3.4192	2.4609	1.0042
O4	1.2648	2.2783	3.4192		2.2939	3.7938
O5	1.2684	2.3357	2.4609	2.2939		2.6271
H6	2.6378	1.8799	1.0042	3.7938	2.6271

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	106.490	O2	N1	O4	112.947
O2	N1	O5	117.237	O2	O3	H6	102.567
O4	N1	O5	129.795

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

using model chemistry: HF/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	0.241
2	O	-0.024
3	O	-0.137
4	O	-0.143
5	O	-0.162
6	H	0.224

	x	y	z	Total
	-1.798	0.002	1.396	2.276
CHELPG
AIM
ESP

	x	y	z
x	3.609	-0.853	-0.283
y	-0.853	2.583	0.130
z	-0.283	0.130	0.818

<r²>	93.409
(<r²>)^1/2	9.665

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

using model chemistry: HF/STO-3G

States and conformations

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