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	hartrees
Energy at 0K	-56.587510
Energy at 298.15K	-56.589465
Nuclear repulsion energy	61.910951

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1395	1336	383.53
2	A₁	804	770	238.86
3	A₁	401	384	49.73
4	B₁	662	634	5.88
5	B₂	1843	1764	409.83
6	B₂	411	393	0.46

Atom	y (Å)	z (Å)
Cl1	0.000	1.272
N2	0.000	-0.595
O3	1.101	-1.091
O4	-1.101	-1.091

	Cl1	N2	O3	O4
Cl1		1.8675	2.6073	2.6073
N2	1.8675		1.2075	1.2075
O3	2.6073	1.2075		2.2020
O4	2.6073	1.2075	2.2020

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	N2	O3	114.248		Cl1	N2	O4	114.248
O3	N2	O4	131.503

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

using model chemistry: B1B95/CEP-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	0.018
2	N	-0.055
3	O	0.018
4	O	0.018

	x	y	z	Total
	0.000	0.000	0.566	0.566
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/CEP-31G*

States and conformations

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