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	hartrees
Energy at 0K	-663.128557
Energy at 298.15K	-663.130500
HF Energy	-663.128557
Nuclear repulsion energy	153.992336

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1376	1355	350.75
2	A₁	788	776	226.86
3	A₁	388	382	57.45
4	B₁	660	650	3.34
5	B₂	1841	1813	352.71
6	B₂	409	403	0.70

Atom	y (Å)	z (Å)
Cl1	0.000	1.272
N2	0.000	-0.606
O3	1.094	-1.086
O4	-1.094	-1.086

	Cl1	N2	O3	O4
Cl1		1.8782	2.5996	2.5996
N2	1.8782		1.1945	1.1945
O3	2.5996	1.1945		2.1876
O4	2.5996	1.1945	2.1876

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl1	N2	O3	113.699		Cl1	N2	O4	113.699
O3	N2	O4	132.603

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

using model chemistry: SVWN/6-31+G**

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	-0.008
2	N	-0.022
3	O	0.015
4	O	0.015

	x	y	z	Total
	0.000	0.000	0.171	0.171
CHELPG
AIM
ESP

<r²>	86.256
(<r²>)^1/2	9.287

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

using model chemistry: SVWN/6-31+G**

States and conformations

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