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	hartrees
Energy at 0K	-355.619765
Energy at 298.15K	-355.623638
HF Energy	-354.333036
Nuclear repulsion energy	186.527069

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3769	3611
2	A	1807	1731
3	A	1443	1383
4	A	1351	1294
5	A	978	937
6	A	826	791
7	A	764	732
8	A	675	646
9	A	496	475
10	A	371	355
11	A	298	285
12	A	139	133

Atom	x (Å)	y (Å)	z (Å)
N1	0.613	0.080	-0.001
O2	-0.590	-0.787	0.063
O3	-1.733	0.009	-0.141
O4	1.596	-0.592	-0.019
O5	0.428	1.256	0.005
H6	-1.899	0.355	0.747

	N1	O2	O3	O4	O5	H6
N1		1.4838	2.3505	1.1915	1.1906	2.6351
O2	1.4838		1.4069	2.1967	2.2834	1.8670
O3	2.3505	1.4069		3.3850	2.4994	0.9668
O4	1.1915	2.1967	3.3850		2.1864	3.7018
O5	1.1906	2.2834	2.4994	2.1864		2.6038
H6	2.6351	1.8670	0.9668	3.7018	2.6038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	108.776	O2	N1	O4	109.912
O2	N1	O5	116.831	O2	O3	H6	102.123
O4	N1	O5	133.234

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

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/cc-pVTZ

States and conformations

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