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	hartrees
Energy at 0K	-661.997407
Energy at 298.15K	-661.999056
Nuclear repulsion energy	145.161366

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1063	1056	273.94
2	A₁	699	694	155.61
3	A₁	323	321	36.50
4	B₁	549	545	3.51
5	B₂	1401	1392	112.96
6	B₂	332	329	0.79

Atom	y (Å)	z (Å)
Cl1	0.000	1.356
N2	0.000	-0.663
O3	1.157	-1.151
O4	-1.157	-1.151

	Cl1	N2	O3	O4
Cl1		2.0191	2.7609	2.7609
N2	2.0191		1.2556	1.2556
O3	2.7609	1.2556		2.3140
O4	2.7609	1.2556	2.3140

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	N2	O3	112.856		Cl1	N2	O4	112.856
O3	N2	O4	134.288

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	-0.053
2	N	0.393
3	O	-0.170
4	O	-0.170

	x	y	z	Total
	0.000	0.000	-0.868	0.868
CHELPG
AIM
ESP

<r²>	94.718
(<r²>)^1/2	9.732

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)