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	hartrees
Energy at 0K	-355.118076
Energy at 298.15K	-355.121976
HF Energy	-354.200684
Nuclear repulsion energy	186.394076

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3816	3596	52.85
2	A	1875	1767	483.50
3	A	1461	1377	73.18
4	A	1402	1321	206.73
5	A	1021	962	11.59
6	A	851	802	166.49
7	A	766	722	10.38
8	A	702	662	10.03
9	A	538	507	8.13
10	A	379	357	35.67
11	A	295	278	69.16
12	A	124	117	15.08

Atom	x (Å)	y (Å)	z (Å)
N1	0.602	0.076	0.002
O2	-0.577	-0.778	0.101
O3	-1.732	-0.009	-0.164
O4	1.598	-0.593	-0.041
O5	0.426	1.263	0.015
H6	-1.927	0.395	0.697

	N1	O2	O3	O4	O5	H6
N1		1.4598	2.3413	1.2003	1.1997	2.6425
O2	1.4598		1.4121	2.1875	2.2756	1.8846
O3	2.3413	1.4121		3.3824	2.5109	0.9706
O4	1.2003	2.1875	3.3824		2.1956	3.7343
O5	1.1997	2.2756	2.5109	2.1956		2.5992
H6	2.6425	1.8846	0.9706	3.7343	2.5992

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	109.211	O2	N1	O4	110.256
O2	N1	O5	117.337	O2	O3	H6	102.973
O4	N1	O5	132.366

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

using model chemistry: CCD/6-31+G**

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/6-31+G**

States and conformations

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