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	hartrees
Energy at 0K	-665.106398
Energy at 298.15K	-665.108294
Nuclear repulsion energy	150.040128

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1300	1231	380.05
2	A₁	785	743	237.10
3	A₁	389	368	42.16
4	B₁	631	597	5.28
5	B₂	1700	1609	293.84
6	B₂	386	365	0.73

Atom	y (Å)	z (Å)
Cl1	0.000	1.316
N2	0.000	-0.635
O3	1.113	-1.121
O4	-1.113	-1.121

	Cl1	N2	O3	O4
Cl1		1.9518	2.6789	2.6789
N2	1.9518		1.2138	1.2138
O3	2.6789	1.2138		2.2253
O4	2.6789	1.2138	2.2253

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	N2	O3	113.558		Cl1	N2	O4	113.558
O3	N2	O4	132.884

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

using model chemistry: mPW1PW91/6-31G

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	0.101
2	N	0.246
3	O	-0.173
4	O	-0.173

	x	y	z	Total
	0.000	0.000	-0.063	0.063
CHELPG
AIM
ESP

<r²>	90.422
(<r²>)^1/2	9.509

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

using model chemistry: mPW1PW91/6-31G

States and conformations

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