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	hartrees
Energy at 0K	-355.480858
Energy at 298.15K	-355.484876
HF Energy	-354.339565
Nuclear repulsion energy	188.779467

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3822	3569	55.04
2	A	1889	1764	479.13
3	A	1488	1389	72.17
4	A	1415	1321	213.94
5	A	1066	995	8.35
6	A	887	829	169.96
7	A	803	750	13.38
8	A	734	686	6.78
9	A	563	525	7.06
10	A	391	365	27.04
11	A	301	281	65.29
12	A	136	127	14.06

Atom	x (Å)	y (Å)	z (Å)
N1	0.595	0.075	0.000
O2	-0.570	-0.769	0.077
O3	-1.714	-0.006	-0.147
O4	1.579	-0.584	-0.026
O5	0.420	1.246	0.007
H6	-1.891	0.379	0.719

	N1	O2	O3	O4	O5	H6
N1		1.4412	2.3156	1.1846	1.1839	2.6058
O2	1.4412		1.3927	2.1599	2.2463	1.8636
O3	2.3156	1.3927		3.3458	2.4795	0.9640
O4	1.1846	2.1599	3.3458		2.1665	3.6774
O5	1.1839	2.2463	2.4795	2.1665		2.5693
H6	2.6058	1.8636	0.9640	3.6774	2.5693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	109.584	O2	N1	O4	110.309
O2	N1	O5	117.338	O2	O3	H6	103.000
O4	N1	O5	132.324

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

using model chemistry: CCD/cc-pVTZ

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/cc-pVTZ

States and conformations

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