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	hartrees
Energy at 0K	-665.261266
Energy at 298.15K	-665.263177
Nuclear repulsion energy	152.764523

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1370	1312	379.72
2	A₁	799	765	248.68
3	A₁	367	351	58.97
4	B₁	659	631	7.71
5	B₂	1818	1741	346.80
6	B₂	406	389	0.66

Atom	y (Å)	z (Å)
Cl1	0.000	1.291
N2	0.000	-0.621
O3	1.094	-1.100
O4	-1.094	-1.100

	Cl1	N2	O3	O4
Cl1		1.9119	2.6294	2.6294
N2	1.9119		1.1946	1.1946
O3	2.6294	1.1946		2.1888
O4	2.6294	1.1946	2.1888

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	N2	O3	113.633		Cl1	N2	O4	113.633
O3	N2	O4	132.734

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

using model chemistry: B3LYPultrafine/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	0.037
2	N	0.437
3	O	-0.237
4	O	-0.237

	x	y	z	Total
	0.000	0.000	-0.044	0.044
CHELPG
AIM
ESP

<r²>	87.321
(<r²>)^1/2	9.345

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

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

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