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	hartrees
Energy at 0K	-731.579971
Energy at 298.15K	-731.582039
HF Energy	-731.579971
Nuclear repulsion energy	216.048505

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1763	1549	27.90
2	A'	1298	1141	112.58
3	A'	908	798	4.67
4	A'	855	752	79.01
5	A'	564	496	6.19
6	A'	403	354	0.57
7	A'	224	197	0.90
8	A"	541	475	3.05
9	A"	101	89	0.27

Atom	x (Å)	y (Å)
Cl1	-1.664	0.296
O2	0.000	0.926
N3	0.982	-0.285
O4	0.485	-1.471
O5	2.191	0.165

	Cl1	O2	N3	O4	O5
Cl1		1.7790	2.7084	2.7812	3.8566
O2	1.7790		1.5590	2.4453	2.3193
N3	2.7084	1.5590		1.2859	1.2900
O4	2.7812	2.4453	1.2859		2.3637
O5	3.8566	2.3193	1.2900	2.3637

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	108.282		O2	N3	O4	118.217
O2	N3	O5	108.621		O4	N3	O5	133.163

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

using model chemistry: mPW1PW91/STO-3G

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	-0.028
2	O	-0.012
3	N	0.172
4	O	-0.064
5	O	-0.068

	x	y	z	Total
	0.445	0.096	0.000	0.455
CHELPG
AIM
ESP

	x	y	z
x	5.502	0.068	0.000
y	0.068	2.445	0.000
z	0.000	0.000	0.416

<r²>	139.856
(<r²>)^1/2	11.826

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

using model chemistry: mPW1PW91/STO-3G

States and conformations

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