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	hartrees
Energy at 0K	-739.968133
Energy at 298.15K	-739.970460
HF Energy	-739.968133
Nuclear repulsion energy	222.869227

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1812	1787	241.89
2	A'	1324	1306	245.17
3	A'	790	780	127.57
4	A'	737	727	17.25
5	A'	520	513	22.90
6	A'	396	391	17.33
7	A'	225	222	0.13
8	A"	671	662	9.36
9	A"	139	137	0.33

Atom	x (Å)	y (Å)
Cl1	-1.639	0.363
O2	0.000	0.861
N3	0.985	-0.339
O4	0.515	-1.446
O5	2.106	0.109

	Cl1	O2	N3	O4	O5
Cl1		1.7133	2.7169	2.8132	3.7543
O2	1.7133		1.5530	2.3645	2.2367
N3	2.7169	1.5530		1.2032	1.2075
O4	2.8132	2.3645	1.2032		2.2257
O5	3.7543	2.2367	1.2075	2.2257

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	112.475		O2	N3	O4	117.598
O2	N3	O5	107.589		O4	N3	O5	134.813

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

using model chemistry: PBEPBE/6-31G**

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	0.213
2	O	-0.349
3	N	0.671
4	O	-0.271
5	O	-0.264

	x	y	z	Total
	-0.667	-0.249	0.000	0.712
CHELPG
AIM
ESP

	x	y	z
x	7.993	-0.369	0.000
y	-0.369	4.369	0.000
z	0.000	0.000	2.110

<r²>	136.650
(<r²>)^1/2	11.690

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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