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	hartrees
Energy at 0K	-355.103136
Energy at 298.15K	-355.107003
HF Energy	-354.179780
Nuclear repulsion energy	185.329639

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3668	3493	43.38
2	A	1801	1715	369.47
3	A	1462	1392	72.18
4	A	1382	1316	203.20
5	A	987	940	13.45
6	A	835	795	127.21
7	A	748	713	14.57
8	A	681	649	6.86
9	A	514	490	4.81
10	A	378	360	47.13
11	A	305	290	56.49
12	A	134	128	13.37

Atom	x (Å)	y (Å)	z (Å)
N1	0.591	0.073	-0.000
O2	-0.559	-0.762	0.096
O3	-1.733	-0.030	-0.156
O4	1.596	-0.590	-0.035
O5	0.417	1.266	0.009
H6	-1.908	0.429	0.689

	N1	O2	O3	O4	O5	H6
N1		1.4246	2.3315	1.2039	1.2058	2.6171
O2	1.4246		1.4058	2.1656	2.2523	1.8946
O3	2.3315	1.4058		3.3773	2.5158	0.9778
O4	1.2039	2.1656	3.3773		2.1990	3.7201
O5	1.2058	2.2523	2.5158	2.1990		2.5629
H6	2.6171	1.8946	0.9778	3.7201	2.5629

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	110.915	O2	N1	O4	110.670
O2	N1	O5	117.554	O2	O3	H6	103.834
O4	N1	O5	131.727

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

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

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