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	hartrees
Energy at 0K	-1716.795255
Energy at 298.15K	-1716.795415
HF Energy	-1716.795255
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	552	542	13.51
2	A	377	370	37.16
3	A	197	193	1.19
4	A	91	89	0.35
5	B	363	355	140.87
6	B	221	217	10.06

Atom	x (Å)	y (Å)	z (Å)
S1	0.446	0.871	0.753
S2	-0.446	-0.871	0.753
Cl3	-0.446	2.187	-0.708
Cl4	0.446	-2.187	-0.708

	S1	S2	Cl3	Cl4
S1		1.9563	2.1593	3.3891
S2	1.9563		3.3891	2.1593
Cl3	2.1593	3.3891		4.4642
Cl4	3.3891	2.1593	4.4642

Number	Element	Mulliken
1	S	0.156
2	S	0.156
3	Cl	-0.156
4	Cl	-0.156

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

using model chemistry: B97D3/6-31G*

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	0.000	0.000	1.518	1.518
CHELPG
AIM
ESP

	x	y	z
x	5.376	-0.859	0.000
y	-0.859	15.560	0.000
z	0.000	0.000	7.321

<r²>	267.186
(<r²>)^1/2	16.346