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	hartrees
Energy at 0K	-996.200995
Energy at 298.15K	-996.202428
HF Energy	-996.200995
Nuclear repulsion energy	238.097585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	739	739	231.96
2	A'	701	701	130.02
3	A'	397	397	5.45
4	A'	323	323	7.68
5	A"	657	657	147.48
6	A"	264	264	0.03

Atom	x (Å)	y (Å)	z (Å)
S1	0.535	0.141	0.000
S2	-1.137	0.975	0.000
F3	0.535	-0.992	1.170
F4	0.535	-0.992	-1.170

	S1	S2	F3	F4
S1		1.8688	1.6293	1.6293
S2	1.8688		2.8351	2.8351
F3	1.6293	2.8351		2.3409
F4	1.6293	2.8351	2.3409

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.090		S2	S1	F4	108.090
F3	S1	F4	91.841

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

using model chemistry: B3LYP/aug-cc-pV(T+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	0.965
2	S	-0.121
3	F	-0.422
4	F	-0.422

	x	y	z	Total
	0.440	1.035	0.000	1.124
CHELPG
AIM
ESP

	x	y	z
x	7.605	-1.756	0.000
y	-1.756	6.859	0.000
z	0.000	0.000	5.907

<r²>	110.719
(<r²>)^1/2	10.522

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

using model chemistry: B3LYP/aug-cc-pV(T+d)Z

States and conformations

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