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	hartrees
Energy at 0K	-1716.103425
Energy at 298.15K
HF Energy	-1715.907934
Nuclear repulsion energy	335.073819

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	701	665	119.97	28.91	0.30	0.47
2	A'	367	348	93.05	22.69	0.04	0.07
3	A'	238	225	18.42	26.27	0.27	0.42
4	A'	153	145	0.01	10.60	0.62	0.76
5	A"	332	315	133.73	17.71	0.75	0.86
6	A"	173	164	9.60	22.46	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	-1.221	1.504	0.000
S2	0.391	0.497	0.000
Cl3	0.391	-0.942	1.646
Cl4	0.391	-0.942	-1.646

	S1	S2	Cl3	Cl4
S1		1.9003	3.3602	3.3602
S2	1.9003		2.1865	2.1865
Cl3	3.3602	2.1865		3.2921
Cl4	3.3602	2.1865	3.2921

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	Cl3	110.417		S1	S2	Cl4	110.417
Cl3	S2	Cl4	97.672

All results from a given calculation for SSCl₂ (Thiothionyl chloride)

using model chemistry: B2PLYP=FULLultrafine/6-31G*

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	-0.011
2	S	0.335
3	Cl	-0.162
4	Cl	-0.162

	x	y	z	Total
	0.100	1.644	0.000	1.647
CHELPG
AIM
ESP

	x	y	z
x	7.560	-4.231	0.000
y	-4.231	11.087	0.001
z	0.000	0.001	10.443

<r²>	226.391
(<r²>)^1/2	15.046

All results from a given calculation for SSCl2 (Thiothionyl chloride)

using model chemistry: B2PLYP=FULLultrafine/6-31G*

States and conformations

All results from a given calculation for SSCl₂ (Thiothionyl chloride)