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	hartrees
Energy at 0K	-661.887414
Energy at 298.15K	-661.889054
Nuclear repulsion energy	143.610189

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1072	1066	281.56
2	A₁	703	699	149.27
3	A₁	330	328	23.79
4	B₁	537	534	3.47
5	B₂	1414	1406	120.89
6	B₂	316	314	1.05

Atom	y (Å)	z (Å)
Cl1	0.000	1.385
N2	0.000	-0.690
O3	1.158	-1.169
O4	-1.158	-1.169

	Cl1	N2	O3	O4
Cl1		2.0751	2.8040	2.8040
N2	2.0751		1.2529	1.2529
O3	2.8040	1.2529		2.3157
O4	2.8040	1.2529	2.3157

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	N2	O3	112.462		Cl1	N2	O4	112.462
O3	N2	O4	135.075

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

using model chemistry: BLYP/3-21G

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	-0.077
2	N	0.401
3	O	-0.162
4	O	-0.162

	x	y	z	Total
	0.000	0.000	-1.293	1.293
CHELPG
AIM
ESP

<r²>	97.121
(<r²>)^1/2	9.855

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

using model chemistry: BLYP/3-21G

States and conformations

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