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	hartrees
Energy at 0K	-731.247813
Energy at 298.15K	-731.249885
HF Energy	-731.247813
Nuclear repulsion energy	216.234196

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1772	1564	27.98
2	A'	1302	1149	111.90
3	A'	907	801	4.44
4	A'	854	755	80.58
5	A'	565	499	5.90
6	A'	403	356	0.58
7	A'	226	199	0.90
8	A"	543	480	3.04
9	A"	100	89	0.28

Atom	x (Å)	y (Å)
Cl1	-1.662	0.293
O2	0.000	0.927
N3	0.982	-0.284
O4	0.483	-1.468
O5	2.189	0.166

	Cl1	O2	N3	O4	O5
Cl1		1.7785	2.7059	2.7745	3.8533
O2	1.7785		1.5591	2.4428	2.3180
N3	2.7059	1.5591		1.2846	1.2887
O4	2.7745	2.4428	1.2846		2.3626
O5	3.8533	2.3180	1.2887	2.3626

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	108.154		O2	N3	O4	118.091
O2	N3	O5	108.596		O4	N3	O5	133.313

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

using model chemistry: HSEh1PBE/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	-0.030
2	O	-0.011
3	N	0.172
4	O	-0.063
5	O	-0.068

	x	y	z	Total
	0.466	0.093	0.000	0.475
CHELPG
AIM
ESP

	x	y	z
x	5.490	0.071	0.000
y	0.071	2.439	0.000
z	0.000	0.000	0.415

<r²>	139.599
(<r²>)^1/2	11.815

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

using model chemistry: HSEh1PBE/STO-3G

States and conformations

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