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	hartrees
Energy at 0K	-995.856769
Energy at 298.15K	-995.857737
HF Energy	-995.856769
Nuclear repulsion energy	228.455574

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	812	769	73.37
2	A	598	566	0.20
3	A	275	260	0.18
4	A	173	164	3.07
5	B	784	742	173.26
6	B	315	298	13.09

Atom	x (Å)	y (Å)	z (Å)
S1	-0.407	0.878	-0.402
S2	0.407	-0.878	-0.402
F3	0.407	1.751	0.715
F4	-0.407	-1.751	0.715

	S1	S2	F3	F4
S1		1.9354	1.6354	2.8568
S2	1.9354		2.8568	1.6354
F3	1.6354	2.8568		3.5961
F4	2.8568	1.6354	3.5961

Number	Element	Mulliken
1	S	0.363
2	S	0.363
3	F	-0.363
4	F	-0.363

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: M06-2X/6-31G*

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	-1.495	1.495
CHELPG
AIM
ESP

	x	y	z
x	3.723	-0.821	0.000
y	-0.821	7.424	0.000
z	0.000	0.000	3.653

<r²>	0.000
(<r²>)^1/2	0.000