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	hartrees
Energy at 0K	-1717.008887
Energy at 298.15K	-1717.009202
Nuclear repulsion energy	328.477584

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	535	513	10.22
2	A	433	415	46.62
3	A	205	196	0.53
4	A	97	93	0.35
5	B	420	403	134.91
6	B	236	227	8.65

Atom	x (Å)	y (Å)	z (Å)
S1	0.450	0.870	0.745
S2	-0.450	-0.870	0.745
Cl3	-0.450	2.106	-0.701
Cl4	0.450	-2.106	-0.701

	S1	S2	Cl3	Cl4
S1		1.9592	2.1042	3.3082
S2	1.9592		3.3082	2.1042
Cl3	2.1042	3.3082		4.3070
Cl4	3.3082	2.1042	4.3070

Number	Element	Mulliken
1	S	0.162
2	S	0.162
3	Cl	-0.162
4	Cl	-0.162

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

using model chemistry: B1B95/6-311G*

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	1.381	1.381
CHELPG
AIM
ESP

	x	y	z
x	5.530	-0.731	0.000
y	-0.731	13.947	0.000
z	0.000	0.000	7.336

<r²>	255.380
(<r²>)^1/2	15.981