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	hartrees
Energy at 0K	-663.011501
Energy at 298.15K	-663.013368
Nuclear repulsion energy	149.315086

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1289	1263	330.90
2	A₁	768	752	201.56
3	A₁	386	378	36.69
4	B₁	619	606	3.07
5	B₂	1729	1694	222.20
6	B₂	374	366	0.83

Atom	y (Å)	z (Å)
Cl1	0.000	1.323
N2	0.000	-0.647
O3	1.120	-1.122
O4	-1.120	-1.122

	Cl1	N2	O3	O4
Cl1		1.9693	2.6894	2.6894
N2	1.9693		1.2170	1.2170
O3	2.6894	1.2170		2.2402
O4	2.6894	1.2170	2.2402

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	N2	O3	113.015		Cl1	N2	O4	113.015
O3	N2	O4	133.969

All results from a given calculation for ClNO₂ (Nitryl chloride)

using model chemistry: LSDA/6-31G

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	0.064
2	N	0.177
3	O	-0.120
4	O	-0.120

	x	y	z	Total
	0.000	0.000	-0.483	0.483
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for ClNO2 (Nitryl chloride)

using model chemistry: LSDA/6-31G

States and conformations

All results from a given calculation for ClNO₂ (Nitryl chloride)