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	hartrees
Energy at 0K	-355.105202
Energy at 298.15K	-355.109372
HF Energy	-354.287279
Nuclear repulsion energy	190.996809

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3961	3665	53.16
2	A	1949	1803	553.66
3	A	1588	1469	79.47
4	A	1492	1381	252.39
5	A	1156	1070	2.44
6	A	959	887	179.65
7	A	845	782	20.83
8	A	782	724	5.49
9	A	612	567	1.26
10	A	423	391	46.39
11	A	329	304	82.00
12	A	141	131	16.75

Atom	x (Å)	y (Å)	z (Å)
N1	0.584	0.070	0.002
O2	-0.563	-0.747	0.095
O3	-1.691	-0.015	-0.157
O4	1.561	-0.582	-0.036
O5	0.420	1.236	0.012
H6	-1.914	0.381	0.682

	N1	O2	O3	O4	O5	H6
N1		1.4114	2.2822	1.1757	1.1773	2.6074
O2	1.4114		1.3683	2.1345	2.2146	1.8557
O3	2.2822	1.3683		3.3036	2.4594	0.9543
O4	1.1757	2.1345	3.3036		2.1474	3.6770
O5	1.1773	2.2146	2.4594	2.1474		2.5736
H6	2.6074	1.8557	0.9543	3.6770	2.5736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	110.366	O2	N1	O4	110.859
O2	N1	O5	117.348	O2	O3	H6	104.651
O4	N1	O5	131.754

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

using model chemistry: CISD/6-311G*

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: CISD/6-311G*

States and conformations

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