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	hartrees
Energy at 0K	-993.078772
Energy at 298.15K
HF Energy	-993.078772
Nuclear repulsion energy	227.039812

Atom	x (Å)	y (Å)	z (Å)
S1	-0.383	0.863	-0.399
S2	0.383	-0.863	-0.399
F3	0.383	1.837	0.709
F4	-0.383	-1.837	0.709

	S1	S2	F3	F4
S1		1.8881	1.6629	2.9185
S2	1.8881		2.9185	1.6629
F3	1.6629	2.9185		3.7531
F4	2.9185	1.6629	3.7531

Number	Element	Mulliken
1	S	0.271
2	S	0.271
3	F	-0.271
4	F	-0.271

	x	y	z	Total
	0.000	0.000	-1.514	1.514
CHELPG
AIM
ESP

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: SVWN/cc-pV(D+d)Z

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
x	3.405	-0.756	0.000
y	-0.756	7.853	0.000
z	0.000	0.000	3.485

<r²>	127.996
(<r²>)^1/2	11.314