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	hartrees
Energy at 0K	-1714.123530
Energy at 298.15K	-1714.124096
HF Energy	-1714.123530
Nuclear repulsion energy	335.890411

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	561	508	23.61
2	A	540	489	11.52
3	A	216	196	0.00
4	A	96	86	0.18
5	B	540	488	74.48
6	B	264	239	4.33

Atom	x (Å)	y (Å)	z (Å)
S1	0.460	0.884	0.744
S2	-0.460	-0.884	0.744
Cl3	-0.460	1.994	-0.700
Cl4	0.460	-1.994	-0.700

	S1	S2	Cl3	Cl4
S1		1.9925	2.0403	3.2188
S2	1.9925		3.2188	2.0403
Cl3	2.0403	3.2188		4.0920
Cl4	3.2188	2.0403	4.0920

Number	Element	Mulliken
1	S	0.200
2	S	0.200
3	Cl	-0.200
4	Cl	-0.200

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

using model chemistry: HF/daug-cc-pVTZ

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	0.839	0.839
CHELPG
AIM
ESP

	x	y	z
x	8.177	-0.698	0.000
y	-0.698	13.783	0.000
z	0.000	0.000	9.594

<r²>	240.272
(<r²>)^1/2	15.501