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	hartrees
Energy at 0K	-352.816873
Energy at 298.15K	-352.820441
HF Energy	-352.171848
Nuclear repulsion energy	178.494322

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3420	3326	6.81
2	A	1555	1512	166.70
3	A	1385	1347	82.87
4	A	1136	1105	183.87
5	A	981	954	5.73
6	A	803	781	104.99
7	A	658	640	7.10
8	A	616	599	11.43
9	A	471	458	0.53
10	A	335	326	22.69
11	A	246	239	97.60
12	A	104	101	16.47

Atom	x (Å)	y (Å)	z (Å)
N1	0.632	0.082	0.003
O2	-0.609	-0.865	0.140
O3	-1.783	-0.001	-0.192
O4	1.689	-0.570	-0.066
O5	0.388	1.303	0.032
H6	-1.908	0.491	0.670

	N1	O2	O3	O4	O5	H6
N1		1.5670	2.4241	1.2443	1.2455	2.6576
O2	1.5670		1.4948	2.3259	2.3890	1.9513
O3	2.4241	1.4948		3.5206	2.5429	1.0006
O4	1.2443	2.3259	3.5206		2.2831	3.8220
O5	1.2455	2.3890	2.5429	2.2831		2.5177
H6	2.6576	1.9513	1.0006	3.8220	2.5177

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	104.673	O2	N1	O4	111.136
O2	N1	O5	115.828	O2	O3	H6	101.025
O4	N1	O5	132.977

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

using model chemistry: CCD/3-21G

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/3-21G

States and conformations

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