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	hartrees
Energy at 0K	-665.247369
Energy at 298.15K	-665.249145
HF Energy	-665.247369
Nuclear repulsion energy	148.946624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1298	1287	326.01
2	A₁	754	748	204.67
3	A₁	324	322	47.07
4	B₁	605	600	4.92
5	B₂	1737	1723	262.60
6	B₂	368	365	0.64

Atom	y (Å)	z (Å)
Cl1	0.000	1.317
N2	0.000	-0.638
O3	1.109	-1.121
O4	-1.109	-1.121

	Cl1	N2	O3	O4
Cl1		1.9556	2.6784	2.6784
N2	1.9556		1.2092	1.2092
O3	2.6784	1.2092		2.2175
O4	2.6784	1.2092	2.2175

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	N2	O3	113.518		Cl1	N2	O4	113.518
O3	N2	O4	132.964

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

using model chemistry: BLYP/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	-0.025
2	N	0.424
3	O	-0.200
4	O	-0.200

	x	y	z	Total
	0.000	0.000	-0.646	0.646
CHELPG
AIM
ESP

<r²>	91.459
(<r²>)^1/2	9.563

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

using model chemistry: BLYP/6-31G*

States and conformations

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