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	hartrees
Energy at 0K	-995.934580
Energy at 298.15K	-995.935733
HF Energy	-995.934580
Nuclear repulsion energy	235.597452

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	741	714	202.01
2	A'	676	651	171.53
3	A'	378	363	11.23
4	A'	305	294	8.71
5	A"	637	613	145.87
6	A"	253	243	0.19

Atom	x (Å)	y (Å)	z (Å)
S1	0.536	0.147	0.000
S2	-1.138	0.987	0.000
F3	0.536	-1.008	1.188
F4	0.536	-1.008	-1.188

	S1	S2	F3	F4
S1		1.8724	1.6572	1.6572
S2	1.8724		2.8624	2.8624
F3	1.6572	2.8624		2.3759
F4	1.6572	2.8624	2.3759

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.226		S2	S1	F4	108.226
F3	S1	F4	91.584

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

using model chemistry: B3PW91/6-311G*

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	0.792
2	S	-0.163
3	F	-0.315
4	F	-0.315

	x	y	z	Total
	0.714	1.428	0.000	1.596
CHELPG
AIM
ESP

	x	y	z
x	6.336	-2.408	0.000
y	-2.408	4.977	0.000
z	0.000	0.000	3.802

<r²>	112.745
(<r²>)^1/2	10.618

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

using model chemistry: B3PW91/6-311G*

States and conformations

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