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	hartrees
Energy at 0K	-355.303438
Energy at 298.15K	-355.307210
HF Energy	-354.245807
Nuclear repulsion energy	184.040468

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3700	3594
2	A	1769	1718
3	A	1416	1375
4	A	1328	1290
5	A	917	890
6	A	795	772
7	A	728	707
8	A	638	620
9	A	457	444
10	A	365	355
11	A	301	293
12	A	132	128

Atom	x (Å)	y (Å)	z (Å)
N1	0.622	0.082	-0.000
O2	-0.605	-0.804	0.067
O3	-1.752	0.017	-0.146
O4	1.617	-0.599	-0.023
O5	0.436	1.270	0.008
H6	-1.929	0.351	0.753

	N1	O2	O3	O4	O5	H6
N1		1.5145	2.3793	1.2054	1.2033	2.6738
O2	1.5145		1.4267	2.2326	2.3212	1.8862
O3	2.3793	1.4267		3.4266	2.5256	0.9752
O4	1.2054	2.2326	3.4266		2.2115	3.7521
O5	1.2033	2.3212	2.5256	2.2115		2.6444
H6	2.6738	1.8862	0.9752	3.7521	2.6444

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	107.949	O2	N1	O4	109.822
O2	N1	O5	116.850	O2	O3	H6	101.845
O4	N1	O5	133.306

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

using model chemistry: CCSD(T)=FULL/aug-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(T)=FULL/aug-cc-pVDZ

States and conformations

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