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	hartrees
Energy at 0K	-1716.924996
Energy at 298.15K	-1716.925320
HF Energy	-1716.924996
Nuclear repulsion energy	327.703990

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	538	520	6.97
2	A	438	424	37.33
3	A	201	195	0.54
4	A	95	92	0.14
5	B	425	411	128.25
6	B	232	224	6.95

Atom	x (Å)	y (Å)	z (Å)
S1	0.452	0.872	0.744
S2	-0.452	-0.872	0.744
Cl3	-0.452	2.113	-0.700
Cl4	0.452	-2.113	-0.700

	S1	S2	Cl3	Cl4
S1		1.9645	2.1082	3.3162
S2	1.9645		3.3162	2.1082
Cl3	2.1082	3.3162		4.3215
Cl4	3.3162	2.1082	4.3215

Number	Element	Mulliken
1	S	0.141
2	S	0.141
3	Cl	-0.141
4	Cl	-0.141

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

using model chemistry: B3LYPultrafine/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	1.155	1.155
CHELPG
AIM
ESP

	x	y	z
x	6.627	-0.796	-0.002
y	-0.796	15.049	-0.006
z	-0.002	-0.006	8.299

<r²>	255.663
(<r²>)^1/2	15.989