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	hartrees
Energy at 0K	-355.979077
Energy at 298.15K	-355.982992
HF Energy	-355.979077
Nuclear repulsion energy	186.390085

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3748	3610	51.52
2	A	1865	1796	407.14
3	A	1443	1390	61.78
4	A	1391	1340	238.53
5	A	1024	986	40.11
6	A	834	803	121.82
7	A	757	729	12.64
8	A	678	653	12.18
9	A	473	456	20.15
10	A	383	369	73.59
11	A	311	300	21.69
12	A	154	148	12.74

Atom	x (Å)	y (Å)	z (Å)
N1	0.625	0.078	-0.000
O2	-0.617	-0.774	0.051
O3	-1.735	0.025	-0.136
O4	1.590	-0.611	-0.013
O5	0.458	1.252	0.003
H6	-1.947	0.325	0.760

	N1	O2	O3	O4	O5	H6
N1		1.5067	2.3649	1.1857	1.1855	2.6932
O2	1.5067		1.3868	2.2138	2.2934	1.8651
O3	2.3649	1.3868		3.3877	2.5172	0.9688
O4	1.1857	2.2138	3.3877		2.1796	3.7394
O5	1.1855	2.2934	2.5172	2.1796		2.6860
H6	2.6932	1.8651	0.9688	3.7394	2.6860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	109.561	O2	N1	O4	110.047
O2	N1	O5	116.321	O2	O3	H6	103.272
O4	N1	O5	133.618

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

using model chemistry: B3PW91/6-311G**

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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Number	Element	Mulliken
1	N	0.481
2	O	-0.150
3	O	-0.193
4	O	-0.212
5	O	-0.210
6	H	0.284

	x	y	z	Total
	-1.355	0.581	1.588	2.167
CHELPG
AIM
ESP

	x	y	z
x	5.409	-0.551	-0.163
y	-0.551	3.936	0.072
z	-0.163	0.072	1.849

<r²>	93.530
(<r²>)^1/2	9.671

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

using model chemistry: B3PW91/6-311G**

States and conformations

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