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	hartrees
Energy at 0K	-994.003810
Energy at 298.15K	-994.004973
HF Energy	-994.003810
Nuclear repulsion energy	232.993373

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	875	793	122.15
2	A	599	543	0.00
3	A	313	284	0.14
4	A	197	178	2.46
5	B	841	762	228.27
6	B	366	332	16.23

Atom	x (Å)	y (Å)	z (Å)
S1	-0.384	0.890	-0.413
S2	0.384	-0.890	-0.413
F3	0.384	1.682	0.735
F4	-0.384	-1.682	0.735

	S1	S2	F3	F4
S1		1.9395	1.5926	2.8177
S2	1.9395		2.8177	1.5926
F3	1.5926	2.8177		3.4515
F4	2.8177	1.5926	3.4515

Number	Element	Mulliken
1	S	0.292
2	S	0.292
3	F	-0.292
4	F	-0.292

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: HF/Def2TZVPP

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	-1.399	1.399
CHELPG
AIM
ESP

	x	y	z
x	4.126	-0.711	0.000
y	-0.711	7.098	0.000
z	0.000	0.000	4.115

<r²>	121.071
(<r²>)^1/2	11.003