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	hartrees
Energy at 0K	-738.047101
Energy at 298.15K	-738.049567
HF Energy	-738.047101
Nuclear repulsion energy	226.959263

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1851	1830	328.70
2	A'	1354	1339	268.96
3	A'	822	813	117.74
4	A'	772	763	40.76
5	A'	556	549	40.71
6	A'	425	420	24.80
7	A'	237	234	0.04
8	A"	707	699	8.25
9	A"	147	146	0.59

Atom	x (Å)	y (Å)
Cl1	-1.610	0.352
O2	0.000	0.847
N3	0.971	-0.327
O4	0.497	-1.411
O5	2.076	0.103

	Cl1	O2	N3	O4	O5
Cl1		1.6848	2.6692	2.7476	3.6943
O2	1.6848		1.5236	2.3124	2.2047
N3	2.6692	1.5236		1.1833	1.1855
O4	2.7476	2.3124	1.1833		2.1878
O5	3.6943	2.2047	1.1855	2.1878

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	112.497		O2	N3	O4	116.794
O2	N3	O5	108.296		O4	N3	O5	134.910

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

using model chemistry: LSDA/TZVP

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	0.152
2	O	-0.201
3	N	0.185
4	O	-0.056
5	O	-0.081

	x	y	z	Total
	-0.995	-0.248	0.000	1.025
CHELPG
AIM
ESP

	x	y	z
x	8.393	-0.310	0.000
y	-0.310	4.768	0.000
z	0.000	0.000	2.329

<r²>	133.024
(<r²>)^1/2	11.534

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

using model chemistry: LSDA/TZVP

States and conformations

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