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	hartrees
Energy at 0K	-665.210363
Energy at 298.15K	-665.212171
Nuclear repulsion energy	147.417683

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1233	1186	325.42
2	A₁	743	714	189.34
3	A₁	370	356	32.95
4	B₁	592	569	4.17
5	B₂	1579	1518	297.49
6	B₂	367	353	0.83

Atom	y (Å)	z (Å)
Cl1	0.000	1.338
N2	0.000	-0.638
O3	1.133	-1.142
O4	-1.133	-1.142

	Cl1	N2	O3	O4
Cl1		1.9759	2.7266	2.7266
N2	1.9759		1.2398	1.2398
O3	2.7266	1.2398		2.2650
O4	2.7266	1.2398	2.2650

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	N2	O3	114.007		Cl1	N2	O4	114.007
O3	N2	O4	131.986

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

using model chemistry: B3LYP/SDD

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	0.053
2	N	0.099
3	O	-0.076
4	O	-0.076

	x	y	z	Total
	0.000	0.000	0.234	0.234
CHELPG
AIM
ESP

<r²>	92.964
(<r²>)^1/2	9.642

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

using model chemistry: B3LYP/SDD

States and conformations

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