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	hartrees
Energy at 0K	-1468.961691
Energy at 298.15K	-1468.963541
HF Energy	-1468.961691
Nuclear repulsion energy	393.792279

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1141	1098	153.19
2	A₁	524	504	104.28
3	A₁	361	347	2.20
4	A₁	190	182	0.01
5	A₂	252	242	0.00
6	B₁	546	525	296.95
7	B₁	345	333	5.93
8	B₂	1374	1322	178.75
9	B₂	334	321	6.87

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.508
O2	0.000	1.276	1.196
O3	0.000	-1.276	1.196
Cl4	1.590	0.000	-0.802
Cl5	-1.590	0.000	-0.802

	S1	O2	O3	Cl4	Cl5
S1		1.4495	1.4495	2.0605	2.0605
O2	1.4495		2.5518	2.8546	2.8546
O3	1.4495	2.5518		2.8546	2.8546
Cl4	2.0605	2.8546	2.8546		3.1805
Cl5	2.0605	2.8546	2.8546	3.1805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	123.343	O2	S1	Cl4	107.562
O2	S1	Cl5	107.562	O3	S1	Cl4	107.562
O3	S1	Cl5	107.562	Cl4	S1	Cl5	101.031

All results from a given calculation for SO₂Cl₂ (Sulfuryl chloride)

using model chemistry: TPSSh/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	S	0.368
2	O	-0.291
3	O	-0.291
4	Cl	0.107
5	Cl	0.107

	x	y	z	Total
	0.000	0.000	-1.406	1.406
CHELPG
AIM
ESP

<r²>	192.976
(<r²>)^1/2	13.892

All results from a given calculation for SO2Cl2 (Sulfuryl chloride)

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

States and conformations

All results from a given calculation for SO₂Cl₂ (Sulfuryl chloride)