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	hartrees
Energy at 0K	-1468.440907
Energy at 298.15K	-1468.442743
Nuclear repulsion energy	393.568062

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1133	1125	124.08
2	A₁	521	517	87.56
3	A₁	360	357	2.17
4	A₁	186	184	0.07
5	A₂	250	248	0.00
6	B₁	536	532	269.80
7	B₁	341	338	5.65
8	B₂	1364	1355	135.60
9	B₂	328	326	3.79

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.521
O2	0.000	1.276	1.208
O3	0.000	-1.276	1.208
Cl4	1.592	0.000	-0.814
Cl5	-1.592	0.000	-0.814

	S1	O2	O3	Cl4	Cl5
S1		1.4493	1.4493	2.0776	2.0776
O2	1.4493		2.5526	2.8724	2.8724
O3	1.4493	2.5526		2.8724	2.8724
Cl4	2.0776	2.8724	2.8724		3.1832
Cl5	2.0776	2.8724	2.8724	3.1832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	123.437	O2	S1	Cl4	107.730
O2	S1	Cl5	107.730	O3	S1	Cl4	107.730
O3	S1	Cl5	107.730	Cl4	S1	Cl5	100.006

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

using model chemistry: PBEPBE/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	0.741
2	O	-0.297
3	O	-0.297
4	Cl	-0.074
5	Cl	-0.074

	x	y	z	Total
	0.000	0.000	-1.331	1.331
CHELPG
AIM
ESP

<r²>	192.505
(<r²>)^1/2	13.875

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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