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	hartrees
Energy at 0K	-740.072310
Energy at 298.15K	-740.074615
HF Energy	-740.072310
Nuclear repulsion energy	222.374976

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1806	1787	280.25
2	A'	1317	1304	271.28
3	A'	793	785	157.19
4	A'	727	720	2.00
5	A'	506	501	24.82
6	A'	390	386	24.62
7	A'	220	218	0.30
8	A"	676	669	9.04
9	A"	138	136	0.65

Atom	x (Å)	y (Å)
Cl1	-1.650	0.374
O2	0.000	0.862
N3	0.997	-0.351
O4	0.526	-1.448
O5	2.107	0.099

	Cl1	O2	N3	O4	O5
Cl1		1.7209	2.7448	2.8382	3.7674
O2	1.7209		1.5703	2.3694	2.2412
N3	2.7448	1.5703		1.1942	1.1974
O4	2.8382	2.3694	1.1942		2.2118
O5	3.7674	2.2412	1.1974	2.2118

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	112.944		O2	N3	O4	117.331
O2	N3	O5	107.385		O4	N3	O5	135.284

All results from a given calculation for ClONO₂ (Chlorine nitrate)

using model chemistry: PBEPBE/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	Cl	0.183
2	O	-0.299
3	N	0.406
4	O	-0.144
5	O	-0.146

	x	y	z	Total
	-0.559	-0.416	0.000	0.697
CHELPG
AIM
ESP

	x	y	z
x	8.246	-0.389	0.000
y	-0.389	4.375	0.000
z	0.000	0.000	1.840

<r²>	138.109
(<r²>)^1/2	11.752

All results from a given calculation for ClONO2 (Chlorine nitrate)

using model chemistry: PBEPBE/6-311G*

States and conformations

All results from a given calculation for ClONO₂ (Chlorine nitrate)