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	hartrees
Energy at 0K	-355.114079
Energy at 298.15K	-355.117950
HF Energy	-354.186355
Nuclear repulsion energy	185.441849

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3797	3574	42.17
2	A	1799	1694	369.10
3	A	1452	1367	70.43
4	A	1381	1300	202.23
5	A	987	929	13.58
6	A	836	787	128.53
7	A	749	705	14.02
8	A	682	642	6.87
9	A	515	485	5.13
10	A	378	356	40.57
11	A	298	281	59.78
12	A	135	127	13.68

Atom	x (Å)	y (Å)	z (Å)
N1	0.607	0.079	-0.000
O2	-0.582	-0.792	0.080
O3	-1.739	-0.002	-0.152
O4	1.610	-0.590	-0.029
O5	0.419	1.269	0.010
H6	-1.912	0.367	0.729

	N1	O2	O3	O4	O5	H6
N1		1.4758	2.3520	1.2054	1.2048	2.6385
O2	1.4758		1.4195	2.2035	2.2915	1.8798
O3	2.3520	1.4195		3.4016	2.5090	0.9712
O4	1.2054	2.2035	3.4016		2.2079	3.7274
O5	1.2048	2.2915	2.5090	2.2079		2.6004
H6	2.6385	1.8798	0.9712	3.7274	2.6004

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	108.640	O2	N1	O4	110.129
O2	N1	O5	117.128	O2	O3	H6	102.051
O4	N1	O5	132.710

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

using model chemistry: QCISD/6-31G**

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/6-31G**

States and conformations

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