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	hartrees
Energy at 0K	-355.125826
Energy at 298.15K	-355.129764
HF Energy	-354.202605
Nuclear repulsion energy	187.123431

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3844	3581	57.27
2	A	1890	1760	492.25
3	A	1475	1374	76.20
4	A	1420	1323	201.03
5	A	1037	966	11.01
6	A	867	808	166.74
7	A	774	721	10.06
8	A	712	663	9.28
9	A	549	511	5.88
10	A	387	361	34.61
11	A	292	272	74.99
12	A	130	121	14.02

Atom	x (Å)	y (Å)	z (Å)
N1	0.587	0.070	0.001
O2	-0.559	-0.754	0.109
O3	-1.727	-0.031	-0.161
O4	1.586	-0.592	-0.042
O5	0.425	1.259	0.012
H6	-1.909	0.452	0.658

	N1	O2	O3	O4	O5	H6
N1		1.4158	2.3218	1.1983	1.2000	2.6095
O2	1.4158		1.3993	2.1564	2.2425	1.8915
O3	2.3218	1.3993		3.3615	2.5147	0.9682
O4	1.1983	2.1564	3.3615		2.1846	3.7138
O5	1.2000	2.2425	2.5147	2.1846		2.5530
H6	2.6095	1.8915	0.9682	3.7138	2.5530

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	111.127	O2	N1	O4	110.888
O2	N1	O5	117.798	O2	O3	H6	104.581
O4	N1	O5	131.262

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31+G**

States and conformations

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