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	hartrees
Energy at 0K	-355.231102
Energy at 298.15K	-355.235082
HF Energy	-354.256311
Nuclear repulsion energy	187.098813

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3772	3638	48.95
2	A	1873	1806	481.40
3	A	1469	1417	71.31
4	A	1403	1353	198.05
5	A	1015	979	13.10
6	A	857	826	156.07
7	A	782	755	10.05
8	A	713	688	10.48
9	A	543	524	10.76
10	A	387	373	38.94
11	A	317	305	51.78
12	A	132	127	11.68

Atom	x (Å)	y (Å)	z (Å)
N1	0.600	0.077	0.000
O2	-0.576	-0.781	0.075
O3	-1.725	-0.002	-0.148
O4	1.594	-0.587	-0.026
O5	0.421	1.257	0.008
H6	-1.909	0.365	0.732

	N1	O2	O3	O4	O5	H6
N1		1.4577	2.3308	1.1957	1.1938	2.6295
O2	1.4577		1.4061	2.1811	2.2703	1.8772
O3	2.3308	1.4061		3.3723	2.4928	0.9711
O4	1.1957	2.1811	3.3723		2.1858	3.7086
O5	1.1938	2.2703	2.4928	2.1858		2.5981
H6	2.6295	1.8772	0.9711	3.7086	2.5981

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	108.943	O2	N1	O4	110.186
O2	N1	O5	117.441	O2	O3	H6	102.768
O4	N1	O5	132.346

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

using model chemistry: CCD/aug-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: CCD/aug-cc-pVDZ

States and conformations

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