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	hartrees
Energy at 0K	-995.630047
Energy at 298.15K
HF Energy	-995.630047
Nuclear repulsion energy	237.611619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	788	788	273.58
2	A'	735	735	72.22
3	A'	394	394	8.63
4	A'	319	319	8.77
5	A"	717	717	141.88
6	A"	264	264	0.25

Atom	x (Å)	y (Å)	z (Å)
S1	0.533	0.142	0.000
S2	-1.132	0.978	0.000
F3	0.533	-0.996	1.179
F4	0.533	-0.996	-1.179

	S1	S2	F3	F4
S1		1.8623	1.6388	1.6388
S2	1.8623		2.8382	2.8382
F3	1.6388	2.8382		2.3581
F4	1.6388	2.8382	2.3581

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.150		S2	S1	F4	108.150
F3	S1	F4	92.018

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

using model chemistry: HSEh1PBE/cc-pV(D+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	0.747
2	S	-0.173
3	F	-0.287
4	F	-0.287

	x	y	z	Total
	0.682	1.070	0.000	1.269
CHELPG
AIM
ESP

	x	y	z
x	5.819	-2.148	0.000
y	-2.148	4.670	0.000
z	0.000	0.000	3.684

<r²>	110.650
(<r²>)^1/2	10.519

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

using model chemistry: HSEh1PBE/cc-pV(D+d)Z

States and conformations

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