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	hartrees
Energy at 0K	-663.604150
Energy at 298.15K	-663.606385
Nuclear repulsion energy	160.680794

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1515	1380	409.15
2	A₁	939	855	223.07
3	A₁	518	472	14.86
4	B₁	793	722	11.79
5	B₂	1846	1681	769.11
6	B₂	487	444	0.07

Atom	y (Å)	z (Å)
Cl1	0.000	1.208
N2	0.000	-0.551
O3	1.055	-1.042
O4	-1.055	-1.042

	Cl1	N2	O3	O4
Cl1		1.7583	2.4851	2.4851
N2	1.7583		1.1643	1.1643
O3	2.4851	1.1643		2.1110
O4	2.4851	1.1643	2.1110

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	N2	O3	114.972		Cl1	N2	O4	114.972
O3	N2	O4	130.057

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

using model chemistry: HF/aug-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	0.151
2	N	0.819
3	O	-0.485
4	O	-0.485

	x	y	z	Total
	0.000	0.000	1.625	1.625
CHELPG
AIM
ESP

<r²>	80.218
(<r²>)^1/2	8.956

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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