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	hartrees
Energy at 0K	-355.509209
Energy at 298.15K	-355.513224
HF Energy	-354.344946
Nuclear repulsion energy	188.664074

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3798	3635	56.25
2	A	1866	1786	498.60
3	A	1481	1417	71.32
4	A	1403	1343	205.47
5	A	1058	1013	9.04
6	A	878	841	163.82
7	A	798	764	11.34
8	A	731	700	6.92
9	A	559	535	7.87
10	A	389	372	29.35
11	A	310	296	63.26
12	A	135	129	12.65

Atom	x (Å)	y (Å)	z (Å)
N1	0.596	0.075	0.000
O2	-0.571	-0.770	0.069
O3	-1.715	-0.003	-0.144
O4	1.581	-0.584	-0.023
O5	0.421	1.246	0.006
H6	-1.904	0.357	0.732

	N1	O2	O3	O4	O5	H6
N1		1.4423	2.3165	1.1853	1.1840	2.6201
O2	1.4423		1.3935	2.1611	2.2476	1.8671
O3	2.3165	1.3935		3.3482	2.4787	0.9657
O4	1.1853	2.1611	3.3482		2.1672	3.6875
O5	1.1840	2.2476	2.4787	2.1672		2.5931
H6	2.6201	1.8671	0.9657	3.6875	2.5931

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	109.540	O2	N1	O4	110.287
O2	N1	O5	117.360	O2	O3	H6	103.138
O4	N1	O5	132.329

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

using model chemistry: CCD/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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