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	hartrees
Energy at 0K	-355.196093
Energy at 298.15K	-355.199871
HF Energy	-354.212769
Nuclear repulsion energy	184.448479

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3729	3650
2	A	1821	1782
3	A	1426	1396
4	A	1356	1327
5	A	929	910
6	A	807	790
7	A	727	712
8	A	640	626
9	A	451	441
10	A	369	362
11	A	301	295
12	A	134	131

Atom	x (Å)	y (Å)	z (Å)
N1	0.625	0.081	-0.001
O2	-0.609	-0.800	0.073
O3	-1.748	0.016	-0.149
O4	1.612	-0.600	-0.025
O5	0.437	1.267	0.009
H6	-1.911	0.372	0.745

	N1	O2	O3	O4	O5	H6
N1		1.5183	2.3777	1.2004	1.2001	2.6591
O2	1.5183		1.4184	2.2328	2.3174	1.8763
O3	2.3777	1.4184		3.4183	2.5219	0.9755
O4	1.2004	2.2328	3.4183		2.2064	3.7355
O5	1.2001	2.3174	2.5219	2.2064		2.6181
H6	2.6591	1.8763	0.9755	3.7355	2.6181

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	108.078	O2	N1	O4	109.875
O2	N1	O5	116.481	O2	O3	H6	101.612
O4	N1	O5	133.615

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

using model chemistry: CCSD(T)/cc-pVDZ

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)/cc-pVDZ

States and conformations

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