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	hartrees
Energy at 0K	-996.002073
Energy at 298.15K	-996.003418
HF Energy	-996.002073
Nuclear repulsion energy	240.198651

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	787	752	301.39
2	A'	743	709	24.78
3	A'	413	395	5.30
4	A'	333	318	7.42
5	A"	745	711	121.93
6	A"	272	260	0.13

Atom	x (Å)	y (Å)	z (Å)
S1	0.536	0.133	0.000
S2	-1.140	0.965	0.000
F3	0.536	-0.976	1.156
F4	0.536	-0.976	-1.156

	S1	S2	F3	F4
S1		1.8714	1.6024	1.6024
S2	1.8714		2.8137	2.8137
F3	1.6024	2.8137		2.3120
F4	1.6024	2.8137	2.3120

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	107.933		S2	S1	F4	107.933
F3	S1	F4	92.338

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

using model chemistry: mPW1PW91/6-31G(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	0.484
2	S	-0.218
3	F	-0.133
4	F	-0.133

	x	y	z	Total
	0.924	0.351	0.000	0.988
CHELPG
AIM
ESP

	x	y	z
x	6.556	-1.886	0.000
y	-1.886	5.376	0.000
z	0.000	0.000	4.465

<r²>	108.697
(<r²>)^1/2	10.426

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

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

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