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	hartrees
Energy at 0K	-354.545238
Energy at 298.15K	-354.549002
HF Energy	-353.988491
Nuclear repulsion energy	181.941081

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3707	3476	58.85
2	A	1695	1589	345.00
3	A	1440	1350	86.32
4	A	1302	1221	203.56
5	A	950	891	3.98
6	A	819	768	149.52
7	A	728	683	12.40
8	A	650	609	21.88
9	A	517	485	2.26
10	A	362	340	70.81
11	A	289	271	77.84
12	A	111	104	13.73

Atom	x (Å)	y (Å)	z (Å)
N1	0.621	0.073	0.008
O2	-0.598	-0.794	0.146
O3	-1.775	0.001	-0.196
O4	1.632	-0.606	-0.069
O5	0.452	1.284	0.031
H6	-2.033	0.411	0.652

	N1	O2	O3	O4	O5	H6
N1		1.5026	2.4054	1.2205	1.2226	2.7515
O2	1.5026		1.4610	2.2490	2.3314	1.9410
O3	2.4054	1.4610		3.4632	2.5799	0.9768
O4	1.2205	2.2490	3.4632		2.2298	3.8713
O5	1.2226	2.3314	2.5799	2.2298		2.7057
H6	2.7515	1.9410	0.9768	3.8713	2.7057

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	108.508	O2	N1	O4	110.936
O2	N1	O5	117.258	O2	O3	H6	103.759
O4	N1	O5	131.763

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

using model chemistry: CISD/6-31G

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: CISD/6-31G

States and conformations

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