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	hartrees
Energy at 0K	-1716.656046
Energy at 298.15K	-1716.656396
Nuclear repulsion energy	327.673800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	550	531	7.37
2	A	449	433	34.83
3	A	201	194	0.44
4	A	95	92	0.11
5	B	436	421	125.68
6	B	231	223	6.16

Atom	x (Å)	y (Å)	z (Å)
S1	0.457	0.874	0.745
S2	-0.457	-0.874	0.745
Cl3	-0.457	2.105	-0.702
Cl4	0.457	-2.105	-0.702

	S1	S2	Cl3	Cl4
S1		1.9730	2.1075	3.3121
S2	1.9730		3.3121	2.1075
Cl3	2.1075	3.3121		4.3075
Cl4	3.3121	2.1075	4.3075

Number	Element	Mulliken
1	S	0.191
2	S	0.191
3	Cl	-0.191
4	Cl	-0.191

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

using model chemistry: B3PW91/aug-cc-pVDZ

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	1.078	1.078
CHELPG
AIM
ESP

	x	y	z
x	8.202	-0.871	0.000
y	-0.871	16.392	0.000
z	0.000	0.000	9.772

<r²>	254.990
(<r²>)^1/2	15.968