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	hartrees
Energy at 0K	-1468.954426
Energy at 298.15K	-1468.956299
Nuclear repulsion energy	392.997713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1147	1104	158.38
2	A₁	530	511	106.38
3	A₁	363	349	1.82
4	A₁	191	184	0.02
5	A₂	255	246	0.00
6	B₁	552	531	300.40
7	B₁	348	335	4.47
8	B₂	1375	1324	186.19
9	B₂	336	323	6.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.517
O2	0.000	1.275	1.205
O3	0.000	-1.275	1.205
Cl4	1.603	0.000	-0.810
Cl5	-1.603	0.000	-0.810

	S1	O2	O3	Cl4	Cl5
S1		1.4487	1.4487	2.0813	2.0813
O2	1.4487		2.5503	2.8734	2.8734
O3	1.4487	2.5503		2.8734	2.8734
Cl4	2.0813	2.8734	2.8734		3.2055
Cl5	2.0813	2.8734	2.8734	3.2055

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	123.331	O2	S1	Cl4	107.625
O2	S1	Cl5	107.625	O3	S1	Cl4	107.625
O3	S1	Cl5	107.625	Cl4	S1	Cl5	100.718

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

using model chemistry: B3LYPultrafine/6-31+G**

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	0.535
2	O	-0.341
3	O	-0.341
4	Cl	0.073
5	Cl	0.073

	x	y	z	Total
	0.000	0.000	-1.553	1.553
CHELPG
AIM
ESP

	x	y	z
x	9.597	0.000	0.000
y	0.000	6.443	-0.004
z	0.000	-0.004	7.859

<r²>	194.175
(<r²>)^1/2	13.935

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

using model chemistry: B3LYPultrafine/6-31+G**

States and conformations

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