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	hartrees
Energy at 0K	-355.865880
Energy at 298.15K	-355.869860
HF Energy	-355.865880
Nuclear repulsion energy	188.324038

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3789	3601	61.41
2	A	1898	1803	423.25
3	A	1472	1399	91.58
4	A	1438	1367	213.71
5	A	1087	1033	11.72
6	A	885	841	160.33
7	A	789	750	15.74
8	A	729	693	6.82
9	A	560	532	5.20
10	A	400	380	15.56
11	A	269	256	76.00
12	A	148	140	30.71

Atom	x (Å)	y (Å)	z (Å)
N1	0.594	0.074	-0.001
O2	-0.572	-0.774	0.081
O3	-1.711	-0.016	-0.148
O4	1.591	-0.578	-0.027
O5	0.406	1.251	0.006
H6	-1.869	0.415	0.709

	N1	O2	O3	O4	O5	H6
N1		1.4445	2.3116	1.1912	1.1922	2.5862
O2	1.4445		1.3877	2.1740	2.2507	1.8687
O3	2.3116	1.3877		3.3514	2.4720	0.9720
O4	1.1912	2.1740	3.3514		2.1798	3.6739
O5	1.1922	2.2507	2.4720	2.1798		2.5238
H6	2.5862	1.8687	0.9720	3.6739	2.5238

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	109.395	O2	N1	O4	110.779
O2	N1	O5	116.892	O2	O3	H6	103.319
O4	N1	O5	132.291

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

using model chemistry: M06-2X/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	0.789
2	O	-0.189
3	O	-0.271
4	O	-0.343
5	O	-0.357
6	H	0.371

	x	y	z	Total
	-1.572	0.578	1.503	2.250
CHELPG
AIM
ESP

	x	y	z
x	4.972	-0.642	-0.128
y	-0.642	3.782	0.106
z	-0.128	0.106	1.887

<r²>	91.308
(<r²>)^1/2	9.555

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

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

States and conformations

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