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	hartrees
Energy at 0K	-663.604859
Energy at 298.15K	-663.607089
HF Energy	-663.604859
Nuclear repulsion energy	160.730750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1514	1370	407.87
2	A₁	940	850	221.32
3	A₁	520	471	14.41
4	B₁	795	719	11.72
5	B₂	1843	1667	768.21
6	B₂	488	442	0.07

Atom	y (Å)	z (Å)
Cl1	0.000	1.207
N2	0.000	-0.550
O3	1.056	-1.041
O4	-1.056	-1.041

	Cl1	N2	O3	O4
Cl1		1.7566	2.4837	2.4837
N2	1.7566		1.1646	1.1646
O3	2.4837	1.1646		2.1116
O4	2.4837	1.1646	2.1116

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	N2	O3	114.963		Cl1	N2	O4	114.963
O3	N2	O4	130.074

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

using model chemistry: HF/daug-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	-0.041
2	N	1.820
3	O	-0.890
4	O	-0.890

	x	y	z	Total
	0.000	0.000	1.629	1.629
CHELPG
AIM
ESP

<r²>	80.150
(<r²>)^1/2	8.953

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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