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	hartrees
Energy at 0K	-355.494641
Energy at 298.15K	-355.498617
HF Energy	-354.337781
Nuclear repulsion energy	188.063988

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3799	3576	53.07
2	A	1829	1722	459.18
3	A	1476	1389	67.17
4	A	1394	1312	215.16
5	A	1036	975	9.77
6	A	875	823	149.01
7	A	791	745	12.68
8	A	719	676	6.01
9	A	548	516	5.70
10	A	384	361	26.85
11	A	296	279	62.92
12	A	136	128	14.21

Atom	x (Å)	y (Å)	z (Å)
N1	0.584	0.071	0.000
O2	-0.555	-0.757	0.091
O3	-1.714	-0.027	-0.151
O4	1.577	-0.582	-0.033
O5	0.414	1.249	0.007
H6	-1.865	0.438	0.681

	N1	O2	O3	O4	O5	H6
N1		1.4104	2.3053	1.1889	1.1908	2.5684
O2	1.4104		1.3914	2.1425	2.2295	1.8692
O3	2.3053	1.3914		3.3400	2.4870	0.9650
O4	1.1889	2.1425	3.3400		2.1697	3.6605
O5	1.1908	2.2295	2.4870	2.1697		2.5115
H6	2.5684	1.8692	0.9650	3.6605	2.5115

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	110.730	O2	N1	O4	110.732
O2	N1	O5	117.732	O2	O3	H6	103.499
O4	N1	O5	131.496

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

using model chemistry: CCSD/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: CCSD/cc-pVTZ

States and conformations

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