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	hartrees
Energy at 0K	-665.363765
Energy at 298.15K	-665.365766
Nuclear repulsion energy	155.819930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1388	1328	383.86
2	A₁	825	790	267.64
3	A₁	394	378	64.62
4	B₁	698	668	7.09
5	B₂	1837	1758	431.89
6	B₂	422	404	0.49

Atom	y (Å)	z (Å)
Cl1	0.000	1.259
N2	0.000	-0.601
O3	1.079	-1.075
O4	-1.079	-1.075

	Cl1	N2	O3	O4
Cl1		1.8606	2.5717	2.5717
N2	1.8606		1.1781	1.1781
O3	2.5717	1.1781		2.1571
O4	2.5717	1.1781	2.1571

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	N2	O3	113.724		Cl1	N2	O4	113.724
O3	N2	O4	132.553

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

using model chemistry: B1B95/cc-pVTZ

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	0.352
3	O	-0.153
4	O	-0.153

	x	y	z	Total
	0.000	0.000	0.303	0.303
CHELPG
AIM
ESP

<r²>	84.360
(<r²>)^1/2	9.185

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

using model chemistry: B1B95/cc-pVTZ

States and conformations

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