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	hartrees
Energy at 0K	-56.658853
Energy at 298.15K	-56.660765
Nuclear repulsion energy	61.502246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1323	1282	368.34
2	A₁	789	765	222.98
3	A₁	380	368	48.46
4	B₁	641	622	6.01
5	B₂	1717	1664	375.62
6	B₂	402	390	0.32

Atom	y (Å)	z (Å)
Cl1	0.000	1.591
N2	0.000	-0.305
O3	1.104	-0.801
O4	-1.104	-0.801

	Cl1	N2	O3	O4
Cl1		1.8956	2.6342	2.6342
N2	1.8956		1.2105	1.2105
O3	2.6342	1.2105		2.2083
O4	2.6342	1.2105	2.2083

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	N2	O3	114.192		Cl1	N2	O4	114.192
O3	N2	O4	131.615

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

using model chemistry: B3LYP/CEP-121G*

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	0.017
2	N	0.312
3	O	-0.164
4	O	-0.164

	x	y	z	Total
	0.000	0.000	0.408	0.408
CHELPG
AIM
ESP

<r²>	57.937
(<r²>)^1/2	7.612

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

using model chemistry: B3LYP/CEP-121G*

States and conformations

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