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	hartrees
Energy at 0K	-664.973257
Energy at 298.15K	-664.975106
Nuclear repulsion energy	150.574467

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1330	1317	364.98
2	A₁	781	774	251.91
3	A₁	334	331	62.28
4	B₁	636	630	4.32
5	B₂	1806	1789	317.32
6	B₂	384	380	0.53

Atom	y (Å)	z (Å)
Cl1	0.000	1.325
N2	0.000	-0.658
O3	1.099	-1.120
O4	-1.099	-1.120

	Cl1	N2	O3	O4
Cl1		1.9830	2.6802	2.6802
N2	1.9830		1.1922	1.1922
O3	2.6802	1.1922		2.1988
O4	2.6802	1.1922	2.1988

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	N2	O3	112.762		Cl1	N2	O4	112.762
O3	N2	O4	134.475

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

using model chemistry: PBEPBE/6-311G**

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	-0.047
2	N	0.236
3	O	-0.095
4	O	-0.095

	x	y	z	Total
	0.000	0.000	-0.840	0.840
CHELPG
AIM
ESP

<r²>	90.305
(<r²>)^1/2	9.503

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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