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	hartrees
Energy at 0K	-995.341581
Energy at 298.15K	-995.342161
HF Energy	-995.341581
Nuclear repulsion energy	214.900614

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	620	612	146.73
2	A'	568	561	8.72
3	A'	252	248	9.58
4	A'	178	176	2.23
5	A"	582	574	72.35
6	A"	182	180	0.64

Atom	x (Å)	y (Å)	z (Å)
S1	0.590	0.167	0.000
S2	-1.254	1.045	0.000
F3	0.590	-1.077	1.335
F4	0.590	-1.077	-1.335

	S1	S2	F3	F4
S1		2.0420	1.8246	1.8246
S2	2.0420		3.1117	3.1117
F3	1.8246	3.1117		2.6699
F4	1.8246	3.1117	2.6699

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	107.042		S2	S1	F4	107.042
F3	S1	F4	94.052

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

using model chemistry: PBEPBE/6-31G

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	0.658
2	S	-0.058
3	F	-0.300
4	F	-0.300

	x	y	z	Total
	0.670	1.881	0.000	1.997
CHELPG
AIM
ESP

	x	y	z
x	6.865	-3.222	0.000
y	-3.222	5.598	0.000
z	0.000	0.000	4.353

<r²>	130.890
(<r²>)^1/2	11.441

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

using model chemistry: PBEPBE/6-31G

States and conformations

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