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	hartrees
Energy at 0K	-731.574852
Energy at 298.15K	-731.576833
HF Energy	-731.574852
Nuclear repulsion energy	213.914338

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1690	1508	23.48
2	A'	1253	1118	103.84
3	A'	875	781	4.41
4	A'	825	736	72.60
5	A'	542	483	5.00
6	A'	386	344	0.55
7	A'	217	194	0.83
8	A"	516	460	2.21
9	A"	100	89	0.25

Atom	x (Å)	y (Å)
Cl1	-1.677	0.304
O2	0.000	0.941
N3	0.992	-0.292
O4	0.481	-1.485
O5	2.215	0.155

	Cl1	O2	N3	O4	O5
Cl1		1.7942	2.7354	2.8028	3.8949
O2	1.7942		1.5828	2.4728	2.3501
N3	2.7354	1.5828		1.2977	1.3015
O4	2.8028	2.4728	1.2977		2.3864
O5	3.8949	2.3501	1.3015	2.3864

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	108.030		O2	N3	O4	117.950
O2	N3	O5	108.746		O4	N3	O5	133.304

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

using model chemistry: B3LYP/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	-0.031
2	O	-0.009
3	N	0.157
4	O	-0.056
5	O	-0.061

	x	y	z	Total
	0.497	0.065	0.000	0.502
CHELPG
AIM
ESP

	x	y	z
x	5.701	0.012	0.000
y	0.012	2.514	0.000
z	0.000	0.000	0.421

<r²>	142.153
(<r²>)^1/2	11.923

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

using model chemistry: B3LYP/STO-3G

States and conformations

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