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	hartrees
Energy at 0K	-665.160114
Energy at 298.15K	-665.161819
Nuclear repulsion energy	144.876812

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1193	1184	308.94
2	A₁	722	717	172.06
3	A₁	332	330	29.43
4	B₁	559	555	2.63
5	B₂	1566	1554	195.86
6	B₂	337	334	0.52

Atom	y (Å)	z (Å)
Cl1	0.000	1.378
N2	0.000	-0.682
O3	1.140	-1.166
O4	-1.140	-1.166

	Cl1	N2	O3	O4
Cl1		2.0603	2.7884	2.7884
N2	2.0603		1.2388	1.2388
O3	2.7884	1.2388		2.2805
O4	2.7884	1.2388	2.2805

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	N2	O3	113.010		Cl1	N2	O4	113.010
O3	N2	O4	133.979

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	0.004
2	N	0.258
3	O	-0.131
4	O	-0.131

	x	y	z	Total
	0.000	0.000	-0.762	0.762
CHELPG
AIM
ESP

<r²>	96.229
(<r²>)^1/2	9.810

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)