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	hartrees
Energy at 0K	-355.198370
Energy at 298.15K	-355.202132
HF Energy	-354.211617
Nuclear repulsion energy	184.158117

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3726	3551
2	A	1809	1724
3	A	1423	1356
4	A	1350	1286
5	A	926	883
6	A	803	765
7	A	722	688
8	A	636	606
9	A	443	423
10	A	368	350
11	A	300	286
12	A	135	129

Atom	x (Å)	y (Å)	z (Å)
N1	0.627	0.082	-0.001
O2	-0.613	-0.803	0.069
O3	-1.750	0.019	-0.147
O4	1.615	-0.602	-0.023
O5	0.438	1.268	0.008
H6	-1.911	0.370	0.749

	N1	O2	O3	O4	O5	H6
N1		1.5249	2.3823	1.2013	1.2011	2.6626
O2	1.5249		1.4188	2.2388	2.3230	1.8766
O3	2.3823	1.4188		3.4236	2.5246	0.9756
O4	1.2013	2.2388	3.4236		2.2093	3.7381
O5	1.2011	2.3230	2.5246	2.2093		2.6224
H6	2.6626	1.8766	0.9756	3.7381	2.6224

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	107.997	O2	N1	O4	109.847
O2	N1	O5	116.394	O2	O3	H6	101.602
O4	N1	O5	133.732

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

using model chemistry: QCISD(T)/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: QCISD(T)/cc-pVDZ

States and conformations

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