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	hartrees
Energy at 0K	-355.555943
Energy at 298.15K
HF Energy	-354.329848
Nuclear repulsion energy	185.585591

Atom	x (Å)	y (Å)	z (Å)
N1	0.617	0.080	-0.001
O2	-0.597	-0.792	0.069
O3	-1.742	0.008	-0.143
O4	1.604	-0.596	-0.022
O5	0.432	1.261	0.006
H6	-1.893	0.384	0.737

	N1	O2	O3	O4	O5	H6
N1		1.4968	2.3640	1.1963	1.1959	2.6336
O2	1.4968		1.4122	2.2119	2.2978	1.8725
O3	2.3640	1.4122		3.4017	2.5132	0.9687
O4	1.1963	2.2119	3.4017		2.1964	3.7097
O5	1.1959	2.2978	2.5132	2.1964		2.5898
H6	2.6336	1.8725	0.9687	3.7097	2.5898

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	108.678	O2	N1	O4	109.941
O2	N1	O5	116.714	O2	O3	H6	102.108
O4	N1	O5	133.318

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

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

States and conformations

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