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	hartrees
Energy at 0K	-1469.044410
Energy at 298.15K	-1469.046131
HF Energy	-1469.044410
Nuclear repulsion energy	387.267300

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1099	1083	138.06
2	A₁	498	491	100.49
3	A₁	332	327	3.83
4	A₁	180	178	0.02
5	A₂	248	245	0.00
6	B₁	517	509	271.05
7	B₁	319	315	11.08
8	B₂	1328	1309	169.43
9	B₂	322	318	6.56

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.534
O2	0.000	1.290	1.222
O3	0.000	-1.290	1.222
Cl4	1.626	0.000	-0.826
Cl5	-1.626	0.000	-0.826

	S1	O2	O3	Cl4	Cl5
S1		1.4622	1.4622	2.1202	2.1202
O2	1.4622		2.5798	2.9166	2.9166
O3	1.4622	2.5798		2.9166	2.9166
Cl4	2.1202	2.9166	2.9166		3.2527
Cl5	2.1202	2.9166	2.9166	3.2527

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	123.811	O2	S1	Cl4	107.586
O2	S1	Cl5	107.586	O3	S1	Cl4	107.586
O3	S1	Cl5	107.586	Cl4	S1	Cl5	100.181

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

using model chemistry: B97D3/TZVP

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	0.539
2	O	-0.208
3	O	-0.208
4	Cl	-0.062
5	Cl	-0.062

	x	y	z	Total
	0.000	0.000	-1.133	1.133
CHELPG
AIM
ESP

<r²>	198.782
(<r²>)^1/2	14.099

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

using model chemistry: B97D3/TZVP

States and conformations

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