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	hartrees
Energy at 0K	-996.096725
Energy at 298.15K
HF Energy	-996.096725
Nuclear repulsion energy	238.363340

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	795	795	269.66
2	A'	741	741	79.25
3	A'	397	397	8.64
4	A'	321	321	9.49
5	A"	721	721	143.75
6	A"	265	265	0.25

Atom	x (Å)	y (Å)	z (Å)
S1	0.531	0.143	0.000
S2	-1.129	0.975	0.000
F3	0.531	-0.994	1.173
F4	0.531	-0.994	-1.173

	S1	S2	F3	F4
S1		1.8571	1.6336	1.6336
S2	1.8571		2.8302	2.8302
F3	1.6336	2.8302		2.3460
F4	1.6336	2.8302	2.3460

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.179		S2	S1	F4	108.179
F3	S1	F4	91.791

All results from a given calculation for S₂F₂ (Thio-thionyl fluoride)

using model chemistry: B1B95/cc-pV(D+d)Z

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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Number	Element	Mulliken
1	S	0.746
2	S	-0.168
3	F	-0.289
4	F	-0.289

	x	y	z	Total
	0.662	1.109	0.000	1.292
CHELPG
AIM
ESP

	x	y	z
x	5.771	-2.118	0.000
y	-2.118	4.630	0.000
z	0.000	0.000	3.652

<r²>	110.018
(<r²>)^1/2	10.489

All results from a given calculation for S2F2 (Thio-thionyl fluoride)

using model chemistry: B1B95/cc-pV(D+d)Z

States and conformations

All results from a given calculation for S₂F₂ (Thio-thionyl fluoride)