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	hartrees
Energy at 0K	-1716.089680
Energy at 298.15K	-1716.089926
Nuclear repulsion energy	322.436225

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	557	554	11.44
2	A	411	408	34.94
3	A	195	194	0.80
4	A	91	91	0.23
5	B	397	395	144.52
6	B	219	218	7.11

Atom	x (Å)	y (Å)	z (Å)
S1	0.449	0.877	0.748
S2	-0.449	-0.877	0.748
Cl3	-0.449	2.176	-0.704
Cl4	0.449	-2.176	-0.704

	S1	S2	Cl3	Cl4
S1		1.9715	2.1456	3.3811
S2	1.9715		3.3811	2.1456
Cl3	2.1456	3.3811		4.4439
Cl4	3.3811	2.1456	4.4439

Number	Element	Mulliken
1	S	0.136
2	S	0.136
3	Cl	-0.136
4	Cl	-0.136

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

using model chemistry: PBEPBE/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	1.335	1.335
CHELPG
AIM
ESP

	x	y	z
x	5.234	-0.819	0.000
y	-0.819	15.051	0.000
z	0.000	0.000	7.032

<r²>	265.375
(<r²>)^1/2	16.290