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	hartrees
Energy at 0K	-665.335585
Energy at 298.15K	-665.337548
Nuclear repulsion energy	154.218458

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1396	1340	424.96
2	A₁	822	790	300.35
3	A₁	370	355	77.07
4	B₁	685	658	7.36
5	B₂	1868	1793	421.45
6	B₂	417	400	0.54

Atom	y (Å)	z (Å)
Cl1	0.000	1.282
N2	0.000	-0.623
O3	1.082	-1.090
O4	-1.082	-1.090

	Cl1	N2	O3	O4
Cl1		1.9051	2.6070	2.6070
N2	1.9051		1.1783	1.1783
O3	2.6070	1.1783		2.1638
O4	2.6070	1.1783	2.1638

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	N2	O3	113.338		Cl1	N2	O4	113.338
O3	N2	O4	133.325

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

using model chemistry: B1B95/6-311G**

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	0.007
2	N	0.265
3	O	-0.136
4	O	-0.136

	x	y	z	Total
	0.000	0.000	-0.163	0.163
CHELPG
AIM
ESP

<r²>	86.375
(<r²>)^1/2	9.294

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

using model chemistry: B1B95/6-311G**

States and conformations

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