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	hartrees
Energy at 0K	-1708.803927
Energy at 298.15K	-1708.804295
HF Energy	-1708.803927
Nuclear repulsion energy	332.644200

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	531	503	5.04
2	A	461	437	38.56
3	A	208	197	0.19
4	A	93	88	0.36
5	B	450	426	98.01
6	B	245	232	6.66

Atom	x (Å)	y (Å)	z (Å)
S1	0.454	0.862	0.731
S2	-0.454	-0.862	0.731
Cl3	-0.454	2.064	-0.688
Cl4	0.454	-2.064	-0.688

	S1	S2	Cl3	Cl4
S1		1.9481	2.0690	3.2517
S2	1.9481		3.2517	2.0690
Cl3	2.0690	3.2517		4.2266
Cl4	3.2517	2.0690	4.2266

Number	Element	Mulliken
1	S	0.139
2	S	0.139
3	Cl	-0.139
4	Cl	-0.139

All results from a given calculation for ClSSCl (Disulfur dichloride)

using model chemistry: wB97X-D/3-21G*

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	0.000	0.000	1.133	1.133
CHELPG
AIM
ESP

	x	y	z
x	4.963	-0.674	0.000
y	-0.674	12.341	0.000
z	0.000	0.000	6.694

<r²>	246.979
(<r²>)^1/2	15.716