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	hartrees
Energy at 0K	-1468.941399
Energy at 298.15K	-1468.943419
Nuclear repulsion energy	399.354436

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1196	1150	149.37
2	A₁	556	535	100.24
3	A₁	389	374	1.08
4	A₁	199	192	0.06
5	A₂	265	255	0.00
6	B₁	575	553	302.03
7	B₁	368	354	3.41
8	B₂	1432	1377	166.39
9	B₂	349	335	4.55

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.510
O2	0.000	1.257	1.192
O3	0.000	-1.257	1.192
Cl4	1.569	0.000	-0.801
Cl5	-1.569	0.000	-0.801

	S1	O2	O3	Cl4	Cl5
S1		1.4305	1.4305	2.0448	2.0448
O2	1.4305		2.5143	2.8315	2.8315
O3	1.4305	2.5143		2.8315	2.8315
Cl4	2.0448	2.8315	2.8315		3.1383
Cl5	2.0448	2.8315	2.8315	3.1383

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	123.001	O2	S1	Cl4	107.815
O2	S1	Cl5	107.815	O3	S1	Cl4	107.815
O3	S1	Cl5	107.815	Cl4	S1	Cl5	100.240

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

using model chemistry: B3PW91/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	0.819
2	O	-0.337
3	O	-0.337
4	Cl	-0.072
5	Cl	-0.072

<r²>	187.734
(<r²>)^1/2	13.702

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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