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	hartrees
Energy at 0K	-659.764948
Energy at 298.15K	-659.766749
Nuclear repulsion energy	148.157014

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1164	1145	311.84
2	A₁	752	740	182.05
3	A₁	377	371	30.91
4	B₁	594	584	4.39
5	B₂	1577	1551	142.76
6	B₂	347	341	1.53

Atom	y (Å)	z (Å)
Cl1	0.000	1.330
N2	0.000	-0.659
O3	1.134	-1.125
O4	-1.134	-1.125

	Cl1	N2	O3	O4
Cl1		1.9885	2.7038	2.7038
N2	1.9885		1.2264	1.2264
O3	2.7038	1.2264		2.2690
O4	2.7038	1.2264	2.2690

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	N2	O3	112.321		Cl1	N2	O4	112.321
O3	N2	O4	135.359

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

using model chemistry: LSDA/3-21G

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	-0.035
2	N	0.369
3	O	-0.167
4	O	-0.167

	x	y	z	Total
	0.000	0.000	-1.087	1.087
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/3-21G

States and conformations

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