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	hartrees
Energy at 0K	-355.402502
Energy at 298.15K	-355.406432
HF Energy	-354.319608
Nuclear repulsion energy	186.783455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3781	3583	44.86
2	A	1802	1708	486.10
3	A	1449	1372	62.41
4	A	1373	1301	216.33
5	A	1014	961	12.54
6	A	866	820	142.99
7	A	753	713	8.97
8	A	692	656	11.14
9	A	531	503	6.82
10	A	387	367	53.59
11	A	317	300	47.48
12	A	122	116	11.08

Atom	x (Å)	y (Å)	z (Å)
N1	0.608	0.074	0.003
O2	-0.591	-0.773	0.111
O3	-1.731	0.001	-0.170
O4	1.589	-0.598	-0.046
O5	0.442	1.254	0.018
H6	-1.923	0.411	0.686

	N1	O2	O3	O4	O5	H6
N1		1.4724	2.3469	1.1901	1.1909	2.6437
O2	1.4724		1.4062	2.1928	2.2762	1.8726
O3	2.3469	1.4062		3.3760	2.5151	0.9686
O4	1.1901	2.1928	3.3760		2.1790	3.7270
O5	1.1909	2.2762	2.5151	2.1790		2.5981
H6	2.6437	1.8726	0.9686	3.7270	2.5981

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	109.216	O2	N1	O4	110.444
O2	N1	O5	117.054	O2	O3	H6	102.532
O4	N1	O5	132.461

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

using model chemistry: CCSD=FULL/TZVP

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/TZVP

States and conformations

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