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	hartrees
Energy at 0K	-354.013388
Energy at 298.15K	-354.016697
HF Energy	-354.013388
Nuclear repulsion energy	174.261034

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3166	3146	6.65
2	A	1402	1393	109.04
3	A	1296	1288	54.08
4	A	1085	1078	192.89
5	A	941	935	24.09
6	A	725	720	42.37
7	A	588	584	9.27
8	A	564	560	1.97
9	A	383	381	0.68
10	A	280	278	38.99
11	A	226	225	39.90
12	A	133	132	19.44

Atom	x (Å)	y (Å)	z (Å)
N1	0.675	0.085	-0.009
O2	-0.672	-0.894	0.067
O3	-1.825	0.028	-0.145
O4	1.742	-0.588	-0.019
O5	0.402	1.322	0.007
H6	-1.895	0.454	0.781

	N1	O2	O3	O4	O5	H6
N1		1.6666	2.5043	1.2619	1.2666	2.7139
O2	1.6666		1.4915	2.4345	2.4632	1.9557
O3	2.5043	1.4915		3.6220	2.5806	1.0224
O4	1.2619	2.4345	3.6220		2.3333	3.8672
O5	1.2666	2.4632	2.5806	2.3333		2.5751
H6	2.7139	1.9557	1.0224	3.8672	2.5751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	104.794	O2	N1	O4	111.722
O2	N1	O5	113.531	O2	O3	H6	100.485
O4	N1	O5	134.684

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

using model chemistry: BLYP/3-21G*

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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Number	Element	Mulliken
1	N	0.453
2	O	-0.092
3	O	-0.270
4	O	-0.217
5	O	-0.230
6	H	0.355

	x	y	z	Total
	-0.927	0.761	1.591	1.993
CHELPG
AIM
ESP

	x	y	z
x	5.957	-0.585	-0.233
y	-0.585	3.682	0.165
z	-0.233	0.165	1.367

<r²>	103.265
(<r²>)^1/2	10.162

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

using model chemistry: BLYP/3-21G*

States and conformations

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