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	hartrees
Energy at 0K	-1469.237587
Energy at 298.15K	-1469.239639
HF Energy	-1469.237587
Nuclear repulsion energy	402.057232

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1210	1160	150.67
2	A₁	562	538	97.37
3	A₁	397	381	0.41
4	A₁	201	193	0.09
5	A₂	266	255	0.00
6	B₁	583	559	289.99
7	B₁	376	361	1.69
8	B₂	1446	1386	167.14
9	B₂	350	335	3.65

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.506
O2	0.000	1.258	1.190
O3	0.000	-1.258	1.190
Cl4	1.563	0.000	-0.798
Cl5	-1.563	0.000	-0.798

	S1	O2	O3	Cl4	Cl5
S1		1.4315	1.4315	2.0354	2.0354
O2	1.4315		2.5151	2.8240	2.8240
O3	1.4315	2.5151		2.8240	2.8240
Cl4	2.0354	2.8240	2.8240		3.1269
Cl5	2.0354	2.8240	2.8240	3.1269

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	122.918	O2	S1	Cl4	107.814
O2	S1	Cl5	107.814	O3	S1	Cl4	107.814
O3	S1	Cl5	107.814	Cl4	S1	Cl5	100.371

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

using model chemistry: B1B95/aug-cc-pVTZ

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	1.565
2	O	-0.656
3	O	-0.656
4	Cl	-0.126
5	Cl	-0.126

	x	y	z	Total
	0.000	0.000	-1.800	1.800
CHELPG
AIM
ESP

<r²>	185.519
(<r²>)^1/2	13.621

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

using model chemistry: B1B95/aug-cc-pVTZ

States and conformations

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