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	hartrees
Energy at 0K	-1469.023220
Energy at 298.15K	-1469.025219
Nuclear repulsion energy	399.311230

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1197	1137	159.99
2	A₁	556	527	115.00
3	A₁	392	372	0.94
4	A₁	201	191	0.03
5	A₂	263	250	0.00
6	B₁	584	555	324.33
7	B₁	370	351	1.84
8	B₂	1447	1374	182.08
9	B₂	352	334	8.88

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.506
O2	0.000	1.265	1.185
O3	0.000	-1.265	1.185
Cl4	1.571	0.000	-0.796
Cl5	-1.571	0.000	-0.796

	S1	O2	O3	Cl4	Cl5
S1		1.4359	1.4359	2.0404	2.0404
O2	1.4359		2.5306	2.8270	2.8270
O3	1.4359	2.5306		2.8270	2.8270
Cl4	2.0404	2.8270	2.8270		3.1423
Cl5	2.0404	2.8270	2.8270	3.1423

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	123.579	O2	S1	Cl4	107.553
O2	S1	Cl5	107.553	O3	S1	Cl4	107.553
O3	S1	Cl5	107.553	Cl4	S1	Cl5	100.712

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

using model chemistry: B1B95/6-31G*

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
1	S	0.899
2	O	-0.404
3	O	-0.404
4	Cl	-0.045
5	Cl	-0.045

	x	y	z	Total
	0.000	0.000	-1.415	1.415
CHELPG
AIM
ESP

<r²>	188.020
(<r²>)^1/2	13.712

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

using model chemistry: B1B95/6-31G*

States and conformations

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