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	hartrees
Energy at 0K	-1708.470460
Energy at 298.15K	-1708.470317
HF Energy	-1708.470460
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	422	415	4.24
2	A	357	351	20.72
3	A	150	147	0.41
4	A	70	68	0.56
5	B	362	356	72.19
6	B	167	164	2.66

Atom	x (Å)	y (Å)	z (Å)
S1	0.515	0.940	0.828
S2	-0.515	-0.940	0.828
Cl3	-0.515	2.296	-0.780
Cl4	0.515	-2.296	-0.780

	S1	S2	Cl3	Cl4
S1		2.1435	2.3418	3.6137
S2	2.1435		3.6137	2.3418
Cl3	2.3418	3.6137		4.7063
Cl4	3.6137	2.3418	4.7063

Number	Element	Mulliken
1	S	0.141
2	S	0.141
3	Cl	-0.141
4	Cl	-0.141

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

using model chemistry: B97D3/3-21G

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	1.941	1.941
CHELPG
AIM
ESP

	x	y	z
x	4.904	-1.229	0.000
y	-1.229	17.556	0.000
z	0.000	0.000	7.374

<r²>	300.724
(<r²>)^1/2	17.341