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	hartrees
Energy at 0K	-995.583809
Energy at 298.15K	-995.585021
HF Energy	-995.583809
Nuclear repulsion energy	236.089027

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	757	723	262.07
2	A'	712	679	127.09
3	A'	384	366	8.42
4	A'	313	298	9.51
5	A"	676	645	169.97
6	A"	254	243	0.03

Atom	x (Å)	y (Å)	z (Å)
S1	0.536	0.147	0.000
S2	-1.140	0.985	0.000
F3	0.536	-1.007	1.180
F4	0.536	-1.007	-1.180

	S1	S2	F3	F4
S1		1.8741	1.6507	1.6507
S2	1.8741		2.8585	2.8585
F3	1.6507	2.8585		2.3602
F4	1.6507	2.8585	2.3602

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.218		S2	S1	F4	108.218
F3	S1	F4	91.274

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

using model chemistry: HSEh1PBE/6-31+G**

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	0.662
2	S	-0.059
3	F	-0.301
4	F	-0.301

	x	y	z	Total
	0.544	1.342	0.000	1.448
CHELPG
AIM
ESP

	x	y	z
x	6.997	-2.169	0.000
y	-2.169	5.965	0.000
z	0.000	0.000	4.784

<r²>	112.382
(<r²>)^1/2	10.601

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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