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	hartrees
Energy at 0K	-663.136966
Energy at 298.15K	-663.138925
Nuclear repulsion energy	154.763532

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1380	1357	312.93
2	A₁	798	785	217.85
3	A₁	393	387	51.98
4	B₁	672	661	4.81
5	B₂	1871	1841	284.93
6	B₂	408	402	0.75

Atom	y (Å)	z (Å)
Cl1	0.000	1.266
N2	0.000	-0.609
O3	1.089	-1.079
O4	-1.089	-1.079

	Cl1	N2	O3	O4
Cl1		1.8751	2.5854	2.5854
N2	1.8751		1.1863	1.1863
O3	2.5854	1.1863		2.1787
O4	2.5854	1.1863	2.1787

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	N2	O3	113.318		Cl1	N2	O4	113.318
O3	N2	O4	133.365

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

using model chemistry: LSDA/6-31G(2df,p)

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	-0.061
2	N	0.454
3	O	-0.196
4	O	-0.196

	x	y	z	Total
	0.000	0.000	-0.141	0.141
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(2df,p)

States and conformations

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