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	hartrees
Energy at 0K	-982.257239
Energy at 298.15K	-982.258134
HF Energy	-982.257239
Nuclear repulsion energy	227.658878

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	972	793	19.29
2	A'	476	389	4.96
3	A'	362	295	13.74
4	A'	260	212	6.96
5	A"	967	789	10.80
6	A"	215	176	3.89

Atom	x (Å)	y (Å)	z (Å)
S1	0.615	0.174	0.000
S2	-1.306	0.918	0.000
F3	0.615	-0.970	1.194
F4	0.615	-0.970	-1.194

	S1	S2	F3	F4
S1		2.0601	1.6529	1.6529
S2	2.0601		2.9458	2.9458
F3	1.6529	2.9458		2.3870
F4	1.6529	2.9458	2.3870

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	104.471		S2	S1	F4	104.471
F3	S1	F4	92.456

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

using model chemistry: HF/STO-3G

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	0.595
2	S	-0.279
3	F	-0.158
4	F	-0.158

	x	y	z	Total
	2.732	-0.565	0.000	2.790
CHELPG
AIM
ESP

	x	y	z
x	2.965	-1.654	0.000
y	-1.654	2.286	0.000
z	0.000	0.000	2.022

<r²>	116.332
(<r²>)^1/2	10.786

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

using model chemistry: HF/STO-3G

States and conformations

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