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	hartrees
Energy at 0K	-661.991446
Energy at 298.15K	-661.993275
Nuclear repulsion energy	150.698317

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1131	1080	328.04
2	A₁	751	717	210.27
3	A₁	377	360	54.17
4	B₁	612	584	6.19
5	B₂	1482	1415	165.61
6	B₂	376	359	0.90

Atom	y (Å)	z (Å)
Cl1	0.000	1.288
N2	0.000	-0.609
O3	1.130	-1.102
O4	-1.130	-1.102

	Cl1	N2	O3	O4
Cl1		1.8971	2.6438	2.6438
N2	1.8971		1.2328	1.2328
O3	2.6438	1.2328		2.2598
O4	2.6438	1.2328	2.2598

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	N2	O3	113.575		Cl1	N2	O4	113.575
O3	N2	O4	132.850

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

using model chemistry: B1B95/3-21G*

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	0.046
2	N	0.388
3	O	-0.217
4	O	-0.217

	x	y	z	Total
	0.000	0.000	0.024	0.024
CHELPG
AIM
ESP

<r²>	88.539
(<r²>)^1/2	9.410

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

using model chemistry: B1B95/3-21G*

States and conformations

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