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	hartrees
Energy at 0K	-995.464906
Energy at 298.15K	-995.465998
HF Energy	-995.464906
Nuclear repulsion energy	233.268929

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	737	726	255.85
2	A'	684	674	30.24
3	A'	356	351	7.08
4	A'	283	279	5.11
5	A"	680	671	115.82
6	A"	236	233	0.28

Atom	x (Å)	y (Å)	z (Å)
S1	0.541	0.139	0.000
S2	-1.150	1.005	0.000
F3	0.541	-1.016	1.200
F4	0.541	-1.016	-1.200

	S1	S2	F3	F4
S1		1.9002	1.6658	1.6658
S2	1.9002		2.8958	2.8958
F3	1.6658	2.8958		2.4002
F4	1.6658	2.8958	2.4002

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.418		S2	S1	F4	108.418
F3	S1	F4	92.181

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	0.724
2	S	-0.156
3	F	-0.284
4	F	-0.284

	x	y	z	Total
	0.856	0.716	0.000	1.115
CHELPG
AIM
ESP

	x	y	z
x	6.405	-2.403	0.000
y	-2.403	5.188	0.000
z	0.000	0.000	4.001

<r²>	114.184
(<r²>)^1/2	10.686

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)