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	hartrees
Energy at 0K	-740.573880
Energy at 298.15K	-740.576302
HF Energy	-740.573880
Nuclear repulsion energy	226.011887

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1809	1752	343.02
2	A'	1331	1289	276.48
3	A'	819	793	109.47
4	A'	776	751	69.85
5	A'	548	530	45.18
6	A'	413	400	28.83
7	A'	235	228	0.20
8	A"	709	687	10.08
9	A"	129	125	0.25

Atom	x (Å)	y (Å)
Cl1	-1.619	0.308
O2	0.000	0.792
N3	0.952	-0.273
O4	0.556	-1.400
O5	2.052	0.193

	Cl1	O2	N3	O4	O5
Cl1		1.6902	2.6359	2.7664	3.6735
O2	1.6902		1.4281	2.2615	2.1376
N3	2.6359	1.4281		1.1943	1.1955
O4	2.7664	2.2615	1.1943		2.1857
O5	3.6735	2.1376	1.1955	2.1857

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	115.155		O2	N3	O4	118.896
O2	N3	O5	108.805		O4	N3	O5	132.299

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

using model chemistry: TPSSh/cc-pVTZ

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	0.113
2	O	-0.218
3	N	0.469
4	O	-0.178
5	O	-0.186

	x	y	z	Total
	-0.733	-0.199	0.000	0.759
CHELPG
AIM
ESP

	x	y	z
x	8.232	-0.346	0.000
y	-0.346	4.840	0.000
z	0.000	0.000	2.655

<r²>	133.675
(<r²>)^1/2	11.562

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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