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	hartrees
Energy at 0K	-740.570551
Energy at 298.15K	-740.573030
HF Energy	-740.570551
Nuclear repulsion energy	226.416641

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1788	1730	377.97
2	A'	1334	1291	270.92
3	A'	825	798	110.10
4	A'	785	760	73.52
5	A'	561	543	60.98
6	A'	433	419	25.21
7	A'	247	239	0.24
8	A"	726	703	10.02
9	A"	130	126	0.19

Atom	x (Å)	y (Å)
Cl1	-1.626	0.318
O2	0.000	0.784
N3	0.954	-0.275
O4	0.563	-1.401
O5	2.057	0.181

	Cl1	O2	N3	O4	O5
Cl1		1.6909	2.6471	2.7828	3.6850
O2	1.6909		1.4257	2.2564	2.1435
N3	2.6471	1.4257		1.1919	1.1933
O4	2.7828	2.2564	1.1919		2.1760
O5	3.6850	2.1435	1.1933	2.1760

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	O2	N3	116.019		O2	N3	O4	118.816
O2	N3	O5	109.541		O4	N3	O5	131.643

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

using model chemistry: B3LYPultrafine/aug-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	0.202
2	O	-0.392
3	N	1.031
4	O	-0.412
5	O	-0.429

	x	y	z	Total
	-0.943	-0.090	0.000	0.947
CHELPG
AIM
ESP

	x	y	z
x	9.085	-0.404	0.000
y	-0.404	5.872	0.000
z	0.000	0.000	3.939

<r²>	133.948
(<r²>)^1/2	11.574

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

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

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