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	hartrees
Energy at 0K	-355.372768
Energy at 298.15K	-355.376661
HF Energy	-354.224040
Nuclear repulsion energy	186.496075

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3780	3553	51.57
2	A	1954	1836	211.52
3	A	1455	1368	67.29
4	A	1337	1257	177.44
5	A	992	933	27.81
6	A	795	747	144.30
7	A	760	714	7.36
8	A	677	636	31.17
9	A	473	444	57.05
10	A	377	354	43.66
11	A	320	301	29.76
12	A	155	146	11.36

Atom	x (Å)	y (Å)	z (Å)
N1	0.584	0.080	-0.001
O2	-0.544	-0.776	0.078
O3	-1.701	-0.037	-0.143
O4	1.591	-0.567	-0.026
O5	0.373	1.259	0.004
H6	-1.842	0.408	0.704

	N1	O2	O3	O4	O5	H6
N1		1.4176	2.2917	1.1971	1.1978	2.5472
O2	1.4176		1.3905	2.1474	2.2332	1.8655
O3	2.2917	1.3905		3.3360	2.4498	0.9675
O4	1.1971	2.1474	3.3360		2.1947	3.6425
O5	1.1978	2.2332	2.4498	2.1947		2.4740
H6	2.5472	1.8655	0.9675	3.6425	2.4740

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	109.389	O2	N1	O4	110.137
O2	N1	O5	117.019	O2	O3	H6	103.115
O4	N1	O5	132.813

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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: MP2=FULL/6-31G(2df,p)

States and conformations

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