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	hartrees
Energy at 0K	-1708.750877
Energy at 298.15K	-1708.751245
HF Energy	-1708.750877
Nuclear repulsion energy	333.712351

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	543	514	4.91
2	A	459	435	38.33
3	A	205	194	0.21
4	A	91	86	0.39
5	B	447	424	93.30
6	B	247	234	6.73

Atom	x (Å)	y (Å)	z (Å)
S1	0.458	0.869	0.753
S2	-0.458	-0.869	0.753
Cl3	-0.458	2.019	-0.708
Cl4	0.458	-2.019	-0.708

	S1	S2	Cl3	Cl4
S1		1.9644	2.0727	3.2371
S2	1.9644		3.2371	2.0727
Cl3	2.0727	3.2371		4.1413
Cl4	3.2371	2.0727	4.1413

Number	Element	Mulliken
1	S	0.140
2	S	0.140
3	Cl	-0.140
4	Cl	-0.140

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

using model chemistry: M06-2X/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	1.175	1.175
CHELPG
AIM
ESP

	x	y	z
x	5.003	-0.703	0.000
y	-0.703	12.169	0.000
z	0.000	0.000	6.793

<r²>	244.116
(<r²>)^1/2	15.624