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	hartrees
Energy at 0K	-994.004564
Energy at 298.15K	-994.005696
HF Energy	-994.004564
Nuclear repulsion energy	231.826221

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	868	785	115.63
2	A	595	538	0.13
3	A	307	278	0.14
4	A	192	174	2.11
5	B	837	757	209.65
6	B	360	326	16.25

Atom	x (Å)	y (Å)	z (Å)
S1	-0.394	0.887	-0.402
S2	0.394	-0.887	-0.402
F3	0.394	1.703	0.714
F4	-0.394	-1.703	0.714

	S1	S2	F3	F4
S1		1.9420	1.5913	2.8203
S2	1.9420		2.8203	1.5913
F3	1.5913	2.8203		3.4958
F4	2.8203	1.5913	3.4958

Number	Element	Mulliken
1	S	0.623
2	S	0.623
3	F	-0.623
4	F	-0.623

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: HF/daug-cc-pVTZ

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	-1.349	1.349
CHELPG
AIM
ESP

	x	y	z
x	5.197	-0.567	0.000
y	-0.567	7.750	0.000
z	0.000	0.000	5.203

<r²>	121.902
(<r²>)^1/2	11.041