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	hartrees
Energy at 0K	-1468.453672
Energy at 298.15K	-1468.455577
HF Energy	-1468.453672
Nuclear repulsion energy	397.723460

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1154	1140	131.22
2	A₁	532	525	88.33
3	A₁	372	368	1.91
4	A₁	192	190	0.10
5	A₂	258	255	0.00
6	B₁	551	544	274.44
7	B₁	353	349	5.16
8	B₂	1391	1375	147.65
9	B₂	338	333	3.39

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.508
O2	0.000	1.267	1.193
O3	0.000	-1.267	1.193
Cl4	1.579	0.000	-0.801
Cl5	-1.579	0.000	-0.801

	S1	O2	O3	Cl4	Cl5
S1		1.4403	1.4403	2.0506	2.0506
O2	1.4403		2.5335	2.8413	2.8413
O3	1.4403	2.5335		2.8413	2.8413
Cl4	2.0506	2.8413	2.8413		3.1572
Cl5	2.0506	2.8413	2.8413	3.1572

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	123.173	O2	S1	Cl4	107.679
O2	S1	Cl5	107.679	O3	S1	Cl4	107.679
O3	S1	Cl5	107.679	Cl4	S1	Cl5	100.679

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

using model chemistry: PBEPBE/Def2TZVPP

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	0.665
2	O	-0.277
3	O	-0.277
4	Cl	-0.056
5	Cl	-0.056

	x	y	z	Total
	0.000	0.000	-1.513	1.513
CHELPG
AIM
ESP

<r²>	189.004
(<r²>)^1/2	13.748

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

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

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