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	hartrees
Energy at 0K	-991.142054
Energy at 298.15K	-991.143038
HF Energy	-991.142054
Nuclear repulsion energy	227.396493

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	787	746	41.35
2	A	609	577	0.01
3	A	279	265	0.33
4	A	188	178	3.66
5	B	759	719	126.94
6	B	306	290	11.28

Atom	x (Å)	y (Å)	z (Å)
S1	-0.406	0.882	-0.389
S2	0.406	-0.882	-0.389
F3	0.406	1.804	0.691
F4	-0.406	-1.804	0.691

	S1	S2	F3	F4
S1		1.9431	1.6356	2.8950
S2	1.9431		2.8950	1.6356
F3	1.6356	2.8950		3.6974
F4	2.8950	1.6356	3.6974

Number	Element	Mulliken
1	S	0.309
2	S	0.309
3	F	-0.309
4	F	-0.309

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: wB97X-D/3-21G*

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	-1.445	1.445
CHELPG
AIM
ESP

	x	y	z
x	3.084	-0.725	0.000
y	-0.725	7.027	0.000
z	0.000	0.000	3.126

<r²>	126.721
(<r²>)^1/2	11.257