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	hartrees
Energy at 0K	-1714.978750
Energy at 298.15K	-1714.972648
HF Energy	-1713.903395
Nuclear repulsion energy	348.130823

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'	625	625	156.38	5.38	0.71	0.83
2	A'	473	473	154.43	98.94	0.09	0.16
3	A'	292	292	8.65	24.56	0.27	0.43
4	A'	217	217	2.15	7.44	0.74	0.85
5	A"	479	479	141.05	70.17	0.75	0.86
6	A"	207	207	1.29	28.68	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	-1.243	1.446	0.000
S2	0.398	0.458	0.000
Cl3	0.398	-0.896	1.553
Cl4	0.398	-0.896	-1.553

	S1	S2	Cl3	Cl4
S1		1.9150	3.2542	3.2542
S2	1.9150		2.0608	2.0608
Cl3	3.2542	2.0608		3.1061
Cl4	3.2542	2.0608	3.1061

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	S2	Cl3	109.821		S1	S2	Cl4	109.821
Cl3	S2	Cl4	97.812

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

using model chemistry: CBS-Q

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

using model chemistry: CBS-Q

States and conformations

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