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	hartrees
Energy at 0K	-740.433263
Energy at 298.15K	-740.435642
HF Energy	-740.433263
Nuclear repulsion energy	224.605231

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1807	1740	342.38
2	A'	1335	1285	276.37
3	A'	802	772	115.07
4	A'	760	732	62.65
5	A'	538	518	43.55
6	A'	413	397	26.04
7	A'	233	225	0.14
8	A"	695	669	8.81
9	A"	129	125	0.38

Atom	x (Å)	y (Å)
Cl1	-1.634	0.314
O2	0.000	0.788
N3	0.958	-0.275
O4	0.568	-1.413
O5	2.065	0.199

	Cl1	O2	N3	O4	O5
Cl1		1.7010	2.6582	2.7977	3.7006
O2	1.7010		1.4313	2.2727	2.1476
N3	2.6582	1.4313		1.2028	1.2038
O4	2.7977	2.2727	1.2028		2.1997
O5	3.7006	2.1476	1.2038	2.1997

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	115.859		O2	N3	O4	119.006
O2	N3	O5	108.864		O4	N3	O5	132.130

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

using model chemistry: TPSSh/6-31+G**

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	0.172
2	O	-0.095
3	N	-0.058
4	O	-0.006
5	O	-0.013

	x	y	z	Total
	-0.966	-0.164	0.000	0.980
CHELPG
AIM
ESP

	x	y	z
x	8.664	-0.314	0.000
y	-0.314	5.220	0.000
z	0.000	0.000	3.013

<r²>	135.374
(<r²>)^1/2	11.635

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

using model chemistry: TPSSh/6-31+G**

States and conformations

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