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	hartrees
Energy at 0K	-1468.389501
Energy at 298.15K	-1468.391509
HF Energy	-1468.389501
Nuclear repulsion energy	398.263424

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1185	1131	169.48
2	A₁	551	526	113.15
3	A₁	389	371	0.52
4	A₁	201	192	0.01
5	A₂	265	253	0.00
6	B₁	580	554	318.10
7	B₁	372	355	1.99
8	B₂	1422	1357	199.39
9	B₂	350	334	7.37

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.506
O2	0.000	1.268	1.189
O3	0.000	-1.268	1.189
Cl4	1.575	0.000	-0.798
Cl5	-1.575	0.000	-0.798

	S1	O2	O3	Cl4	Cl5
S1		1.4401	1.4401	2.0451	2.0451
O2	1.4401		2.5352	2.8352	2.8352
O3	1.4401	2.5352		2.8352	2.8352
Cl4	2.0451	2.8352	2.8352		3.1509
Cl5	2.0451	2.8352	2.8352	3.1509

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	123.334	O2	S1	Cl4	107.614
O2	S1	Cl5	107.614	O3	S1	Cl4	107.614
O3	S1	Cl5	107.614	Cl4	S1	Cl5	100.774

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

using model chemistry: HSEh1PBE/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	0.435
2	O	-0.322
3	O	-0.322
4	Cl	0.104
5	Cl	0.104

	x	y	z	Total
	0.000	0.000	-1.660	1.660
CHELPG
AIM
ESP

<r²>	189.225
(<r²>)^1/2	13.756

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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