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	hartrees
Energy at 0K	-1468.588465
Energy at 298.15K	-1468.590530
HF Energy	-1468.588465
Nuclear repulsion energy	400.934770

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1211	1164	153.29
2	A₁	564	542	102.42
3	A₁	398	382	0.64
4	A₁	203	195	0.06
5	A₂	269	258	0.00
6	B₁	585	562	307.49
7	B₁	376	362	2.40
8	B₂	1450	1393	170.13
9	B₂	353	339	4.62

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.507
O2	0.000	1.254	1.188
O3	0.000	-1.254	1.188
Cl4	1.561	0.000	-0.798
Cl5	-1.561	0.000	-0.798

	S1	O2	O3	Cl4	Cl5
S1		1.4273	1.4273	2.0347	2.0347
O2	1.4273		2.5082	2.8206	2.8206
O3	1.4273	2.5082		2.8206	2.8206
Cl4	2.0347	2.8206	2.8206		3.1224
Cl5	2.0347	2.8206	2.8206	3.1224

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	122.961	O2	S1	Cl4	107.830
O2	S1	Cl5	107.830	O3	S1	Cl4	107.830
O3	S1	Cl5	107.830	Cl4	S1	Cl5	100.221

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

using model chemistry: HSEh1PBE/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	0.816
2	O	-0.337
3	O	-0.337
4	Cl	-0.071
5	Cl	-0.071

	x	y	z	Total
	0.000	0.000	-1.708	1.708
CHELPG
AIM
ESP

<r²>	186.418
(<r²>)^1/2	13.653

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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