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	hartrees
Energy at 0K	-663.475424
Energy at 298.15K	-663.477647
Nuclear repulsion energy	159.984098

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1544	1393	450.47
2	A₁	934	843	243.62
3	A₁	519	469	14.98
4	B₁	781	705	18.86
5	B₂	1906	1720	719.09
6	B₂	490	442	0.02

Atom	y (Å)	z (Å)
Cl1	0.000	1.211
N2	0.000	-0.549
O3	1.062	-1.046
O4	-1.062	-1.046

	Cl1	N2	O3	O4
Cl1		1.7599	2.4940	2.4940
N2	1.7599		1.1725	1.1725
O3	2.4940	1.1725		2.1243
O4	2.4940	1.1725	2.1243

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	N2	O3	115.062		Cl1	N2	O4	115.062
O3	N2	O4	129.877

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

using model chemistry: HF/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	CHELPG
1	Cl	0.204	-0.018
2	N	0.510	0.721
3	O	-0.357	-0.351
4	O	-0.357	-0.351

	x	y	z	Total
	0.000	0.000	1.642	1.642
CHELPG
AIM
ESP

<r²>	80.675
(<r²>)^1/2	8.982

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

using model chemistry: HF/6-31G**

States and conformations

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