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	hartrees
Energy at 0K	-996.041085
Energy at 298.15K	-996.042352
HF Energy	-996.041085
Nuclear repulsion energy	238.138998

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	754	728	289.97
2	A'	714	689	23.14
3	A'	398	384	5.18
4	A'	321	310	6.67
5	A"	712	687	118.72
6	A"	263	254	0.11

Atom	x (Å)	y (Å)	z (Å)
S1	0.540	0.133	0.000
S2	-1.147	0.975	0.000
F3	0.540	-0.986	1.167
F4	0.540	-0.986	-1.167

	S1	S2	F3	F4
S1		1.8857	1.6172	1.6172
S2	1.8857		2.8382	2.8382
F3	1.6172	2.8382		2.3348
F4	1.6172	2.8382	2.3348

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	107.997		S2	S1	F4	107.997
F3	S1	F4	92.422

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

using model chemistry: B3LYP/6-31G(2df,p)

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	0.462
2	S	-0.210
3	F	-0.126
4	F	-0.126

	x	y	z	Total
	0.899	0.451	0.000	1.006
CHELPG
AIM
ESP

	x	y	z
x	6.628	-1.952	0.000
y	-1.952	5.464	0.000
z	0.000	0.000	4.516

<r²>	110.328
(<r²>)^1/2	10.504

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

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

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