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	hartrees
Energy at 0K	-996.193939
Energy at 298.15K	-996.194871
HF Energy	-996.193939
Nuclear repulsion energy	227.790085

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	702	676	95.26
2	A	609	586	0.43
3	A	289	278	1.19
4	A	182	175	2.01
5	B	664	639	243.65
6	B	316	305	13.33

Atom	x (Å)	y (Å)	z (Å)
S1	-0.383	0.891	-0.412
S2	0.383	-0.891	-0.412
F3	0.383	1.766	0.732
F4	-0.383	-1.766	0.732

	S1	S2	F3	F4
S1		1.9404	1.6307	2.8932
S2	1.9404		2.8932	1.6307
F3	1.6307	2.8932		3.6142
F4	2.8932	1.6307	3.6142

Number	Element	Mulliken
1	S	0.255
2	S	0.255
3	F	-0.255
4	F	-0.255

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: B3LYP/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	-1.614	1.614
CHELPG
AIM
ESP

	x	y	z
x	4.319	-0.726	0.000
y	-0.726	8.266	0.000
z	0.000	0.000	4.408

<r²>	126.573
(<r²>)^1/2	11.250