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	hartrees
Energy at 0K	-1468.343057
Energy at 298.15K	-1468.344973
HF Energy	-1468.078803
Nuclear repulsion energy	395.028527

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1157	1098	137.02
2	A₁	538	511	112.54
3	A₁	375	356	2.53
4	A₁	198	188	0.01
5	A₂	259	246	0.00
6	B₁	566	537	311.15
7	B₁	354	336	3.76
8	B₂	1404	1333	154.51
9	B₂	345	327	9.14

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.515
O2	0.000	1.278	1.197
O3	0.000	-1.278	1.197
Cl4	1.588	0.000	-0.805
Cl5	-1.588	0.000	-0.805

	S1	O2	O3	Cl4	Cl5
S1		1.4486	1.4486	2.0654	2.0654
O2	1.4486		2.5558	2.8575	2.8575
O3	1.4486	2.5558		2.8575	2.8575
Cl4	2.0654	2.8575	2.8575		3.1769
Cl5	2.0654	2.8575	2.8575	3.1769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	123.809	O2	S1	Cl4	107.518
O2	S1	Cl5	107.518	O3	S1	Cl4	107.518
O3	S1	Cl5	107.518	Cl4	S1	Cl5	100.542

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

using model chemistry: B2PLYP/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	1.067
2	O	-0.471
3	O	-0.471
4	Cl	-0.062
5	Cl	-0.062

<r²>	191.995
(<r²>)^1/2	13.856

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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