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	hartrees
Energy at 0K	-995.653599
Energy at 298.15K	-995.654760
HF Energy	-995.653599
Nuclear repulsion energy	236.048656

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	739	734	199.92
2	A'	679	674	119.52
3	A'	372	370	6.05
4	A'	302	299	4.91
5	A"	643	638	137.44
6	A"	253	251	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.537	0.142	0.000
S2	-1.142	0.981	0.000
F3	0.537	-0.998	1.190
F4	0.537	-0.998	-1.190

	S1	S2	F3	F4
S1		1.8770	1.6478	1.6478
S2	1.8770		2.8551	2.8551
F3	1.6478	2.8551		2.3803
F4	1.6478	2.8551	2.3803

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.016		S2	S1	F4	108.016
F3	S1	F4	92.482

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

using model chemistry: PBEPBE/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	0.559
2	S	-0.142
3	F	-0.208
4	F	-0.208

	x	y	z	Total
	0.435	0.900	0.000	1.000
CHELPG
AIM
ESP

	x	y	z
x	6.789	-2.078	0.000
y	-2.078	5.693	0.000
z	0.000	0.000	4.692

<r²>	111.806
(<r²>)^1/2	10.574

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

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

States and conformations

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