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	hartrees
Energy at 0K	-996.089015
Energy at 298.15K	-996.090343
HF Energy	-996.089015
Nuclear repulsion energy	239.259545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	760	727	342.49
2	A'	741	709	36.15
3	A'	412	394	5.28
4	A'	334	319	8.81
5	A"	704	673	151.17
6	A"	272	261	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.538	0.130	0.000
S2	-1.143	0.964	0.000
F3	0.538	-0.973	1.156
F4	0.538	-0.973	-1.156

	S1	S2	F3	F4
S1		1.8768	1.5979	1.5979
S2	1.8768		2.8132	2.8132
F3	1.5979	2.8132		2.3125
F4	1.5979	2.8132	2.3125

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	107.851		S2	S1	F4	107.851
F3	S1	F4	92.707

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

using model chemistry: wB97X-D/aug-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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Number	Element	Mulliken
1	S	0.948
2	S	-0.161
3	F	-0.394
4	F	-0.394

	x	y	z	Total
	0.665	0.805	0.000	1.044
CHELPG
AIM
ESP

	x	y	z
x	7.488	-1.681	0.000
y	-1.681	6.713	0.000
z	0.000	0.000	5.818

<r²>	109.694
(<r²>)^1/2	10.473

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

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

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