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	hartrees
Energy at 0K	-1468.747947
Energy at 298.15K	-1468.748868
Nuclear repulsion energy	351.010770

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	872	839	63.25
2	A₁	411	395	57.37
3	A₁	261	251	0.01
4	A₁	116	111	0.20
5	A₂	167	160	0.00
6	B₁	421	404	137.21
7	B₁	239	230	1.36
8	B₂	994	955	60.55
9	B₂	221	212	7.67

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.603
O2	0.000	1.385	1.379
O3	0.000	-1.385	1.379
Cl4	1.794	0.000	-0.933
Cl5	-1.794	0.000	-0.933

	S1	O2	O3	Cl4	Cl5
S1		1.5872	1.5872	2.3618	2.3618
O2	1.5872		2.7694	3.2375	3.2375
O3	1.5872	2.7694		3.2375	3.2375
Cl4	2.3618	3.2375	3.2375		3.5875
Cl5	2.3618	3.2375	3.2375	3.5875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	121.474	O2	S1	Cl4	108.541
O2	S1	Cl5	108.541	O3	S1	Cl4	108.541
O3	S1	Cl5	108.541	Cl4	S1	Cl5	98.838

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

using model chemistry: B3LYP/SDD

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	1.008
2	O	-0.434
3	O	-0.434
4	Cl	-0.070
5	Cl	-0.070

	x	y	z	Total
	0.000	0.000	-0.849	0.849
CHELPG
AIM
ESP

<r²>	238.203
(<r²>)^1/2	15.434

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

using model chemistry: B3LYP/SDD

States and conformations

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