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	hartrees
Energy at 0K	-355.625791
Energy at 298.15K	-355.620230
HF Energy	-354.186480
Nuclear repulsion energy	193.364388

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4048	4048	87.03
2	A	1965	1965	726.78
3	A	1648	1648	104.14
4	A	1579	1579	285.13
5	A	1213	1213	2.26
6	A	1044	1044	174.05
7	A	905	905	32.85
8	A	831	831	7.81
9	A	659	659	0.59
10	A	444	444	35.38
11	A	333	333	107.08
12	A	145	145	17.63

Atom	x (Å)	y (Å)	z (Å)
N1	0.570	0.062	0.002
O2	-0.545	-0.726	0.107
O3	-1.682	-0.027	-0.161
O4	1.546	-0.573	-0.042
O5	0.419	1.221	0.013
H6	-1.904	0.411	0.650

	N1	O2	O3	O4	O5	H6
N1		1.3688	2.2589	1.1659	1.1686	2.5812
O2	1.3688		1.3613	2.1019	2.1745	1.8540
O3	2.2589	1.3613		3.2760	2.4497	0.9485
O4	1.1659	2.1019	3.2760		2.1192	3.6545
O5	1.1686	2.1745	2.4497	2.1192		2.5420
H6	2.5812	1.8540	0.9485	3.6545	2.5420

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	111.667	O2	N1	O4	111.798
O2	N1	O5	117.745	O2	O3	H6	105.375
O4	N1	O5	130.407

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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