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	hartrees
Energy at 0K	-355.321031
Energy at 298.15K	-355.324658
HF Energy	-354.232430
Nuclear repulsion energy	181.278055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3693	3602
2	A	1805	1761
3	A	1388	1354
4	A	1277	1246
5	A	890	868
6	A	742	724
7	A	689	672
8	A	594	579
9	A	394	384
10	A	348	340
11	A	287	279
12	A	145	141

Atom	x (Å)	y (Å)	z (Å)
N1	0.655	0.089	0.001
O2	-0.654	-0.825	0.029
O3	-1.767	0.052	-0.126
O4	1.637	-0.620	-0.004
O5	0.457	1.280	0.000
H6	-1.975	0.275	0.801

	N1	O2	O3	O4	O5	H6
N1		1.5973	2.4255	1.2112	1.2078	2.7553
O2	1.5973		1.4248	2.3011	2.3807	1.8838
O3	2.4255	1.4248		3.4718	2.5432	0.9754
O4	1.2112	2.3011	3.4718		2.2372	3.8072
O5	1.2078	2.3807	2.5432	2.2372		2.7501
H6	2.7553	1.8838	0.9754	3.8072	2.7501

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	106.614	O2	N1	O4	109.267
O2	N1	O5	115.441	O2	O3	H6	101.768
O4	N1	O5	135.288

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

using model chemistry: MP4=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: MP4=FULL/aug-cc-pVDZ

States and conformations

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