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	hartrees
Energy at 0K	-996.043218
Energy at 298.15K	-996.044464
HF Energy	-996.043218
Nuclear repulsion energy	236.517869

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	748	714	203.99
2	A'	709	677	212.97
3	A'	394	377	9.74
4	A'	322	308	9.59
5	A"	662	632	177.13
6	A"	264	252	0.11

Atom	x (Å)	y (Å)	z (Å)
S1	0.539	0.129	0.000
S2	-1.145	0.975	0.000
F3	0.539	-0.982	1.168
F4	0.539	-0.982	-1.168

	S1	S2	F3	F4
S1		1.8851	1.6125	1.6125
S2	1.8851		2.8344	2.8344
F3	1.6125	2.8344		2.3368
F4	1.6125	2.8344	2.3368

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.017		S2	S1	F4	108.017
F3	S1	F4	92.873

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

using model chemistry: wB97X-D/TZVP

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	0.647
2	S	-0.142
3	F	-0.253
4	F	-0.253

	x	y	z	Total
	0.728	1.294	0.000	1.485
CHELPG
AIM
ESP

	x	y	z
x	6.483	-2.284	0.000
y	-2.284	5.068	0.000
z	0.000	0.000	4.016

<r²>	111.872
(<r²>)^1/2	10.577

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

using model chemistry: wB97X-D/TZVP

States and conformations

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