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	hartrees
Energy at 0K	-355.163323
Energy at 298.15K	-355.167229
HF Energy	-354.218598
Nuclear repulsion energy	186.095126

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3757	3605	47.18
2	A	1828	1753	383.74
3	A	1453	1394	61.63
4	A	1393	1336	205.71
5	A	980	940	16.32
6	A	840	806	126.17
7	A	762	731	14.35
8	A	683	655	10.36
9	A	508	488	9.69
10	A	380	364	38.24
11	A	307	294	51.99
12	A	138	133	12.41

Atom	x (Å)	y (Å)	z (Å)
N1	0.612	0.079	-0.001
O2	-0.590	-0.787	0.076
O3	-1.734	0.004	-0.149
O4	1.600	-0.593	-0.027
O5	0.427	1.260	0.008
H6	-1.903	0.375	0.735

	N1	O2	O3	O4	O5	H6
N1		1.4835	2.3516	1.1957	1.1959	2.6365
O2	1.4835		1.4092	2.2015	2.2875	1.8731
O3	2.3516	1.4092		3.3897	2.5046	0.9738
O4	1.1957	2.2015	3.3897		2.1940	3.7134
O5	1.1959	2.2875	2.5046	2.1940		2.5958
H6	2.6365	1.8731	0.9738	3.7134	2.5958

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	108.737	O2	N1	O4	110.044
O2	N1	O5	116.833	O2	O3	H6	102.078
O4	N1	O5	133.091

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

using model chemistry: QCISD/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/cc-pVDZ

States and conformations

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