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	hartrees
Energy at 0K	-1468.986797
Energy at 298.15K	-1468.988745
Nuclear repulsion energy	394.718385

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1163	1115	158.35
2	A₁	543	520	110.23
3	A₁	379	363	0.40
4	A₁	198	189	0.00
5	A₂	256	246	0.00
6	B₁	565	541	310.56
7	B₁	358	343	2.69
8	B₂	1398	1340	175.28
9	B₂	340	326	7.46

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.520
O2	0.000	1.281	1.205
O3	0.000	-1.281	1.205
Cl4	1.580	0.000	-0.812
Cl5	-1.580	0.000	-0.812

	S1	O2	O3	Cl4	Cl5
S1		1.4518	1.4518	2.0669	2.0669
O2	1.4518		2.5611	2.8640	2.8640
O3	1.4518	2.5611		2.8640	2.8640
Cl4	2.0669	2.8640	2.8640		3.1605
Cl5	2.0669	2.8640	2.8640	3.1605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	123.778	O2	S1	Cl4	107.680
O2	S1	Cl5	107.680	O3	S1	Cl4	107.680
O3	S1	Cl5	107.680	Cl4	S1	Cl5	99.734

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

using model chemistry: mPW1PW91/cc-pVDZ

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	0.802
2	O	-0.331
3	O	-0.331
4	Cl	-0.070
5	Cl	-0.070

	x	y	z	Total
	0.000	0.000	-1.318	1.318
CHELPG
AIM
ESP

<r²>	191.328
(<r²>)^1/2	13.832

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

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

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