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	hartrees
Energy at 0K	-1469.111228
Energy at 298.15K	-1469.113038
HF Energy	-1469.111228
Nuclear repulsion energy	393.004903

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1139	1123	126.10
2	A₁	519	512	88.42
3	A₁	347	342	4.51
4	A₁	186	184	0.08
5	A₂	252	249	0.00
6	B₁	527	519	267.71
7	B₁	331	326	11.76
8	B₂	1371	1352	140.21
9	B₂	329	325	3.99

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.525
O2	0.000	1.271	1.210
O3	0.000	-1.271	1.210
Cl4	1.599	0.000	-0.816
Cl5	-1.599	0.000	-0.816

	S1	O2	O3	Cl4	Cl5
S1		1.4434	1.4434	2.0871	2.0871
O2	1.4434		2.5418	2.8768	2.8768
O3	1.4434	2.5418		2.8768	2.8768
Cl4	2.0871	2.8768	2.8768		3.1972
Cl5	2.0871	2.8768	2.8768	3.1972

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	123.006	O2	S1	Cl4	107.713
O2	S1	Cl5	107.713	O3	S1	Cl4	107.713
O3	S1	Cl5	107.713	Cl4	S1	Cl5	100.761

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

using model chemistry: B97D3/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	0.805
2	O	-0.314
3	O	-0.314
4	Cl	-0.088
5	Cl	-0.088

	x	y	z	Total
	0.000	0.000	-1.253	1.253
CHELPG
AIM
ESP

<r²>	193.181
(<r²>)^1/2	13.899

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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