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	hartrees
Energy at 0K	-49.227804
Energy at 298.15K	-49.228374
Nuclear repulsion energy	51.122403

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	576	517	35.78
2	A	549	493	6.20
3	A	213	192	0.02
4	A	94	84	0.43
5	B	557	500	78.93
6	B	263	236	5.88

Atom	x (Å)	y (Å)	z (Å)
S1	0.657	0.764	0.748
S2	-0.657	-0.764	0.748
Cl3	0.000	2.057	-0.704
Cl4	0.000	-2.057	-0.704

	S1	S2	Cl3	Cl4
S1		2.0160	2.0526	3.2410
S2	2.0160		3.2410	2.0526
Cl3	2.0526	3.2410		4.1149
Cl4	3.2410	2.0526	4.1149

Number	Element	Mulliken
1	S	0.153
2	S	0.153
3	Cl	-0.153
4	Cl	-0.153

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

using model chemistry: HF/CEP-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
x	5.070	0.774	0.000
y	0.774	10.999	0.000
z	0.000	0.000	6.703

<r²>	0.000
(<r²>)^1/2	0.000