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	hartrees
Energy at 0K	-665.173057
Energy at 298.15K	-665.175063
HF Energy	-665.173057
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1408	1335	399.11
2	A₁	823	780	263.40
3	A₁	415	393	56.15
4	B₁	686	651	9.33
5	B₂	1857	1761	386.63
6	B₂	432	410	0.61

Atom	y (Å)	z (Å)
Cl1	0.000	1.269
N2	0.000	-0.607
O3	1.088	-1.083
O4	-1.088	-1.083

	Cl1	N2	O3	O4
Cl1		1.8764	2.5917	2.5917
N2	1.8764		1.1878	1.1878
O3	2.5917	1.1878		2.1769
O4	2.5917	1.1878	2.1769

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	N2	O3	113.607		Cl1	N2	O4	113.607
O3	N2	O4	132.785

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

using model chemistry: wB97X-D/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	0.084
2	N	0.431
3	O	-0.257
4	O	-0.257

	x	y	z	Total
	0.000	0.000	0.387	0.387
CHELPG
AIM
ESP

<r²>	84.731
(<r²>)^1/2	9.205

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

using model chemistry: wB97X-D/6-31G*

States and conformations

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