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	hartrees
Energy at 0K	-665.392241
Energy at 298.15K	-665.394163
HF Energy	-665.392241
Nuclear repulsion energy	153.239599

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1337	1294	365.38
2	A₁	797	772	253.45
3	A₁	365	353	63.65
4	B₁	665	644	5.36
5	B₂	1782	1726	376.18
6	B₂	399	386	0.55

Atom	y (Å)	z (Å)
Cl1	0.000	1.287
N2	0.000	-0.621
O3	1.091	-1.095
O4	-1.091	-1.095

	Cl1	N2	O3	O4
Cl1		1.9083	2.6200	2.6200
N2	1.9083		1.1893	1.1893
O3	2.6200	1.1893		2.1816
O4	2.6200	1.1893	2.1816

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	N2	O3	113.481		Cl1	N2	O4	113.481
O3	N2	O4	133.038

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

using model chemistry: TPSSh/cc-pVTZ

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	-0.079
2	N	0.366
3	O	-0.143
4	O	-0.143

	x	y	z	Total
	0.000	0.000	-0.142	0.142
CHELPG
AIM
ESP

<r²>	86.986
(<r²>)^1/2	9.327

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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