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	hartrees
Energy at 0K	-355.084978
Energy at 298.15K	-355.088914
HF Energy	-354.183909
Nuclear repulsion energy	186.628295

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3703	3505	43.97
2	A	1911	1809	402.10
3	A	1481	1402	81.49
4	A	1420	1344	204.68
5	A	1025	971	9.96
6	A	864	818	161.39
7	A	769	728	14.86
8	A	709	671	8.25
9	A	544	515	5.57
10	A	389	368	39.60
11	A	307	291	68.10
12	A	131	124	14.13

Atom	x (Å)	y (Å)	z (Å)
N1	0.588	0.072	-0.000
O2	-0.556	-0.760	0.098
O3	-1.725	-0.030	-0.157
O4	1.590	-0.587	-0.036
O5	0.415	1.261	0.010
H6	-1.904	0.430	0.685

	N1	O2	O3	O4	O5	H6
N1		1.4179	2.3202	1.1999	1.2016	2.6094
O2	1.4179		1.4014	2.1576	2.2440	1.8917
O3	2.3202	1.4014		3.3636	2.5046	0.9767
O4	1.1999	2.1576	3.3636		2.1902	3.7103
O5	1.2016	2.2440	2.5046	2.1902		2.5545
H6	2.6094	1.8917	0.9767	3.7103	2.5545

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	110.761	O2	N1	O4	110.737
O2	N1	O5	117.643	O2	O3	H6	103.968
O4	N1	O5	131.570

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

using model chemistry: CCD/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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All results from a given calculation for HOONO2 (peroxy nitric acid)

using model chemistry: CCD/6-31G*

States and conformations

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