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	hartrees
Energy at 0K	-1468.950853
Energy at 298.15K	-1468.952688
HF Energy	-1468.950853
Nuclear repulsion energy	393.621429

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1147	1101	141.46
2	A₁	527	506	104.86
3	A₁	362	347	3.11
4	A₁	190	182	0.03
5	A₂	251	240	0.00
6	B₁	547	525	299.73
7	B₁	342	328	6.12
8	B₂	1392	1336	160.21
9	B₂	335	322	8.22

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.510
O2	0.000	1.277	1.195
O3	0.000	-1.277	1.195
Cl4	1.590	0.000	-0.802
Cl5	-1.590	0.000	-0.802

	S1	O2	O3	Cl4	Cl5
S1		1.4492	1.4492	2.0615	2.0615
O2	1.4492		2.5540	2.8543	2.8543
O3	1.4492	2.5540		2.8543	2.8543
Cl4	2.0615	2.8543	2.8543		3.1809
Cl5	2.0615	2.8543	2.8543	3.1809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	123.569	O2	S1	Cl4	107.505
O2	S1	Cl5	107.505	O3	S1	Cl4	107.505
O3	S1	Cl5	107.505	Cl4	S1	Cl5	100.981

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

using model chemistry: TPSSh/6-31G*

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	0.904
2	O	-0.391
3	O	-0.391
4	Cl	-0.061
5	Cl	-0.061

	x	y	z	Total
	0.000	0.000	-1.116	1.116
CHELPG
AIM
ESP

<r²>	192.900
(<r²>)^1/2	13.889

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

using model chemistry: TPSSh/6-31G*

States and conformations

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