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	hartrees
Energy at 0K	-56.562315
Energy at 298.15K	-56.564128
Nuclear repulsion energy	59.373638

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1224	1185	321.64
2	A₁	731	708	184.84
3	A₁	379	367	32.09
4	B₁	584	566	2.44
5	B₂	1548	1499	261.74
6	B₂	372	361	0.39

Atom	y (Å)	z (Å)
Cl1	0.000	1.644
N2	0.000	-0.310
O3	1.144	-0.830
O4	-1.144	-0.830

	Cl1	N2	O3	O4
Cl1		1.9547	2.7261	2.7261
N2	1.9547		1.2566	1.2566
O3	2.7261	1.2566		2.2881
O4	2.7261	1.2566	2.2881

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	N2	O3	114.431		Cl1	N2	O4	114.431
O3	N2	O4	131.137

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

using model chemistry: B3LYP/CEP-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	0.107
2	N	-0.158
3	O	0.026
4	O	0.026

	x	y	z	Total
	0.000	0.000	0.401	0.401
CHELPG
AIM
ESP

<r²>	61.299
(<r²>)^1/2	7.829

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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