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	hartrees
Energy at 0K	-355.168206
Energy at 298.15K	-355.172137
HF Energy	-354.220485
Nuclear repulsion energy	186.697270

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3766	3766	47.69
2	A	1863	1863	400.75
3	A	1462	1462	64.82
4	A	1407	1407	207.00
5	A	987	987	14.44
6	A	853	853	135.69
7	A	772	772	14.49
8	A	693	693	11.23
9	A	523	523	8.90
10	A	384	384	34.25
11	A	305	305	57.72
12	A	137	137	12.87

Atom	x (Å)	y (Å)	z (Å)
N1	0.607	0.078	-0.001
O2	-0.583	-0.783	0.083
O3	-1.730	-0.001	-0.152
O4	1.596	-0.590	-0.030
O5	0.424	1.257	0.010
H6	-1.895	0.388	0.724

	N1	O2	O3	O4	O5	H6
N1		1.4716	2.3435	1.1932	1.1934	2.6232
O2	1.4716		1.4081	2.1904	2.2768	1.8717
O3	2.3435	1.4081		3.3798	2.4998	0.9730
O4	1.1932	2.1904	3.3798		2.1875	3.7024
O5	1.1934	2.2768	2.4998	2.1875		2.5775
H6	2.6232	1.8717	0.9730	3.7024	2.5775

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	108.912	O2	N1	O4	110.129
O2	N1	O5	116.984	O2	O3	H6	102.088
O4	N1	O5	132.852

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

using model chemistry: CCSD=FULL/cc-pVDZ

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=FULL/cc-pVDZ

States and conformations

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