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	hartrees
Energy at 0K	-731.163527
Energy at 298.15K	-731.165396
HF Energy	-731.163527
Nuclear repulsion energy	211.707440

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1672	1527	16.18
2	A'	1235	1128	76.22
3	A'	827	756	19.10
4	A'	779	712	41.50
5	A'	520	475	3.42
6	A'	360	329	0.31
7	A'	185	169	1.02
8	A"	498	455	0.95
9	A"	116	106	0.26

Atom	x (Å)	y (Å)
Cl1	-1.695	0.320
O2	0.000	0.947
N3	1.009	-0.312
O4	0.486	-1.508
O5	2.232	0.153

	Cl1	O2	N3	O4	O5
Cl1		1.8069	2.7762	2.8458	3.9304
O2	1.8069		1.6137	2.5030	2.3694
N3	2.7762	1.6137		1.3047	1.3091
O4	2.8458	2.5030	1.3047		2.4095
O5	3.9304	2.3694	1.3091	2.4095

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	108.375		O2	N3	O4	117.722
O2	N3	O5	107.872		O4	N3	O5	134.406

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

using model chemistry: PBEPBE/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	-0.045
2	O	0.002
3	N	0.127
4	O	-0.039
5	O	-0.045

	x	y	z	Total
	0.687	-0.009	0.000	0.687
CHELPG
AIM
ESP

	x	y	z
x	5.892	-0.132	0.000
y	-0.132	2.596	0.000
z	0.000	0.000	0.422

<r²>	144.785
(<r²>)^1/2	12.033

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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