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	hartrees
Energy at 0K	-996.049426
Energy at 298.15K	-996.050356
HF Energy	-996.049426
Nuclear repulsion energy	226.565764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	717	684	95.96
2	A	588	561	3.03
3	A	282	270	0.71
4	A	180	172	3.57
5	B	683	652	228.53
6	B	318	304	15.54

Atom	x (Å)	y (Å)	z (Å)
S1	-0.396	0.892	-0.412
S2	0.396	-0.892	-0.412
F3	0.396	1.756	0.733
F4	-0.396	-1.756	0.733

	S1	S2	F3	F4
S1		1.9526	1.6384	2.8854
S2	1.9526		2.8854	1.6384
F3	1.6384	2.8854		3.6010
F4	2.8854	1.6384	3.6010

Number	Element	Mulliken
1	S	0.286
2	S	0.286
3	F	-0.286
4	F	-0.286

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: wB97X-D/TZVP

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	-1.941	1.941
CHELPG
AIM
ESP

	x	y	z
x	3.808	-0.778	0.000
y	-0.778	7.831	0.000
z	0.000	0.000	3.891

<r²>	126.756
(<r²>)^1/2	11.259