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	hartrees
Energy at 0K	-67.542097
Energy at 298.15K	-67.543166
Nuclear repulsion energy	60.093906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	852	765	118.11
2	A	595	534	0.06
3	A	293	264	0.01
4	A	183	165	4.29
5	B	826	741	206.31
6	B	348	313	17.89

Atom	x (Å)	y (Å)	z (Å)
S1	-0.410	0.895	-0.407
S2	0.410	-0.895	-0.407
F3	0.410	1.716	0.723
F4	-0.410	-1.716	0.723

	S1	S2	F3	F4
S1		1.9688	1.6198	2.8445
S2	1.9688		2.8445	1.6198
F3	1.6198	2.8445		3.5282
F4	2.8445	1.6198	3.5282

Number	Element	Mulliken
1	S	0.338
2	S	0.338
3	F	-0.338
4	F	-0.338

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: HF/CEP-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	-1.858	1.858
CHELPG
AIM
ESP

	x	y	z
x	3.378	-0.781	0.000
y	-0.781	6.897	0.000
z	0.000	0.000	3.394

<r²>	86.098
(<r²>)^1/2	9.279