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	hartrees
Energy at 0K	-355.450633
Energy at 298.15K	-355.454399
HF Energy	-354.311631
Nuclear repulsion energy	184.385408

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3737	3573
2	A	1764	1686
3	A	1408	1346
4	A	1319	1261
5	A	950	908
6	A	814	779
7	A	704	673
8	A	640	612
9	A	462	442
10	A	374	358
11	A	305	292
12	A	119	114

Atom	x (Å)	y (Å)	z (Å)
N1	0.627	0.078	0.002
O2	-0.617	-0.789	0.102
O3	-1.752	0.017	-0.167
O4	1.607	-0.610	-0.042
O5	0.456	1.264	0.018
H6	-1.942	0.399	0.706

	N1	O2	O3	O4	O5	H6
N1		1.5200	2.3859	1.1975	1.1980	2.6830
O2	1.5200		1.4181	2.2355	2.3182	1.8795
O3	2.3859	1.4181		3.4188	2.5425	0.9715
O4	1.1975	2.2355	3.4188		2.1990	3.7642
O5	1.1980	2.3182	2.5425	2.1990		2.6406
H6	2.6830	1.8795	0.9715	3.7642	2.6406

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	108.546	O2	N1	O4	110.134
O2	N1	O5	116.566	O2	O3	H6	102.104
O4	N1	O5	133.266

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

using model chemistry: CCSD(T)=FULL/TZVP

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: CCSD(T)=FULL/TZVP

States and conformations

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