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	hartrees
Energy at 0K	-1469.114422
Energy at 298.15K	-1469.116294
HF Energy	-1469.114422
Nuclear repulsion energy	397.603905

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1157	1142	125.43
2	A₁	525	518	81.63
3	A₁	359	354	4.33
4	A₁	193	190	0.17
5	A₂	259	256	0.00
6	B₁	534	527	255.21
7	B₁	343	339	11.71
8	B₂	1394	1376	139.92
9	B₂	337	332	2.56

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.515
O2	0.000	1.259	1.192
O3	0.000	-1.259	1.192
Cl4	1.583	0.000	-0.803
Cl5	-1.583	0.000	-0.803

	S1	O2	O3	Cl4	Cl5
S1		1.4293	1.4293	2.0600	2.0600
O2	1.4293		2.5170	2.8412	2.8412
O3	1.4293	2.5170		2.8412	2.8412
Cl4	2.0600	2.8412	2.8412		3.1661
Cl5	2.0600	2.8412	2.8412	3.1661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	123.060	O2	S1	Cl4	107.666
O2	S1	Cl5	107.666	O3	S1	Cl4	107.666
O3	S1	Cl5	107.666	Cl4	S1	Cl5	100.922

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	0.927
2	O	-0.333
3	O	-0.333
4	Cl	-0.131
5	Cl	-0.131

	x	y	z	Total
	0.000	0.000	-1.472	1.472
CHELPG
AIM
ESP

<r²>	189.534
(<r²>)^1/2	13.767

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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