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	hartrees
Energy at 0K	-71.765608
Energy at 298.15K	-71.767546
Nuclear repulsion energy	94.241961

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1163	1114	166.00
2	A₁	545	522	114.23
3	A₁	384	367	0.33
4	A₁	193	185	0.00
5	A₂	259	248	0.00
6	B₁	575	550	318.94
7	B₁	366	351	0.98
8	B₂	1394	1334	191.71
9	B₂	340	326	7.83

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.518
O2	0.000	1.278	1.208
O3	0.000	-1.278	1.208
Cl4	1.591	0.000	-0.812
Cl5	-1.591	0.000	-0.812

	S1	O2	O3	Cl4	Cl5
S1		1.4520	1.4520	2.0738	2.0738
O2	1.4520		2.5556	2.8711	2.8711
O3	1.4520	2.5556		2.8711	2.8711
Cl4	2.0738	2.8711	2.8711		3.1820
Cl5	2.0738	2.8711	2.8711	3.1820

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	123.289	O2	S1	Cl4	107.735
O2	S1	Cl5	107.735	O3	S1	Cl4	107.735
O3	S1	Cl5	107.735	Cl4	S1	Cl5	100.208

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

using model chemistry: B1B95/CEP-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	0.504
2	O	-0.222
3	O	-0.222
4	Cl	-0.030
5	Cl	-0.030

	x	y	z	Total
	0.000	0.000	-1.685	1.685
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/CEP-31G*

States and conformations

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