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	hartrees
Energy at 0K	-1469.152260
Energy at 298.15K	-1469.154205
HF Energy	-1469.152260
Nuclear repulsion energy	396.094644

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1176	1137	144.91
2	A₁	546	527	98.16
3	A₁	373	360	2.02
4	A₁	194	188	0.06
5	A₂	260	251	0.00
6	B₁	559	541	294.03
7	B₁	354	342	5.27
8	B₂	1409	1362	162.05
9	B₂	341	330	4.66

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.518
O2	0.000	1.261	1.201
O3	0.000	-1.261	1.201
Cl4	1.587	0.000	-0.809
Cl5	-1.587	0.000	-0.809

	S1	O2	O3	Cl4	Cl5
S1		1.4341	1.4341	2.0685	2.0685
O2	1.4341		2.5216	2.8545	2.8545
O3	1.4341	2.5216		2.8545	2.8545
Cl4	2.0685	2.8545	2.8545		3.1740
Cl5	2.0685	2.8545	2.8545	3.1740

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	123.082	O2	S1	Cl4	107.796
O2	S1	Cl5	107.796	O3	S1	Cl4	107.796
O3	S1	Cl5	107.796	Cl4	S1	Cl5	100.215

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

using model chemistry: B3LYPultrafine/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	0.860
2	O	-0.347
3	O	-0.347
4	Cl	-0.083
5	Cl	-0.083

	x	y	z	Total
	0.000	0.000	-1.581	1.581
CHELPG
AIM
ESP

	x	y	z
x	9.159	0.000	0.000
y	0.000	5.954	-0.004
z	0.000	-0.004	7.455

<r²>	190.949
(<r²>)^1/2	13.818

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

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

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