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	hartrees
Energy at 0K	-665.279906
Energy at 298.15K	-665.281798
HF Energy	-665.279906
Nuclear repulsion energy	152.423823

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1345	1295	372.93
2	A₁	781	752	241.86
3	A₁	358	345	65.06
4	B₁	649	625	4.15
5	B₂	1783	1716	393.15
6	B₂	399	384	0.58

Atom	y (Å)	z (Å)
Cl1	0.000	1.292
N2	0.000	-0.622
O3	1.098	-1.101
O4	-1.098	-1.101

	Cl1	N2	O3	O4
Cl1		1.9142	2.6329	2.6329
N2	1.9142		1.1977	1.1977
O3	2.6329	1.1977		2.1956
O4	2.6329	1.1977	2.1956

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	N2	O3	113.568		Cl1	N2	O4	113.568
O3	N2	O4	132.864

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

using model chemistry: TPSSh/6-31+G**

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	-0.054
2	N	0.021
3	O	0.017
4	O	0.017

	x	y	z	Total
	0.000	0.000	0.024	0.024
CHELPG
AIM
ESP

<r²>	87.886
(<r²>)^1/2	9.375

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

using model chemistry: TPSSh/6-31+G**

States and conformations

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