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	hartrees
Energy at 0K	-1469.163562
Energy at 298.15K	-1469.165569
HF Energy	-1469.163562
Nuclear repulsion energy	399.921398

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1197	1153	153.16
2	A₁	556	535	98.46
3	A₁	384	369	1.97
4	A₁	200	193	0.09
5	A₂	269	259	0.00
6	B₁	572	551	297.95
7	B₁	366	352	5.34
8	B₂	1437	1383	176.72
9	B₂	350	337	4.19

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.505
O2	0.000	1.255	1.190
O3	0.000	-1.255	1.190
Cl4	1.579	0.000	-0.798
Cl5	-1.579	0.000	-0.798

	S1	O2	O3	Cl4	Cl5
S1		1.4301	1.4301	2.0466	2.0466
O2	1.4301		2.5100	2.8319	2.8319
O3	1.4301	2.5100		2.8319	2.8319
Cl4	2.0466	2.8319	2.8319		3.1577
Cl5	2.0466	2.8319	2.8319	3.1577

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	122.701	O2	S1	Cl4	107.762
O2	S1	Cl5	107.762	O3	S1	Cl4	107.762
O3	S1	Cl5	107.762	Cl4	S1	Cl5	100.970

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

using model chemistry: B3LYP/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	0.802
2	O	-0.335
3	O	-0.335
4	Cl	-0.066
5	Cl	-0.066

	x	y	z	Total
	0.000	0.000	-1.723	1.723
CHELPG
AIM
ESP

<r²>	187.815
(<r²>)^1/2	13.705

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

using model chemistry: B3LYP/Def2TZVPP

States and conformations

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