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	hartrees
Energy at 0K	-995.570287
Energy at 298.15K	-995.571409
HF Energy	-995.352628
Nuclear repulsion energy	234.039670

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	745	710	192.28
2	A'	667	636	196.85
3	A'	367	350	10.07
4	A'	301	287	7.80
5	A"	628	598	171.42
6	A"	247	235	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.539	0.154	0.000
S2	-1.146	0.989	0.000
F3	0.539	-1.017	1.194
F4	0.539	-1.017	-1.194

	S1	S2	F3	F4
S1		1.8803	1.6727	1.6727
S2	1.8803		2.8789	2.8789
F3	1.6727	2.8789		2.3888
F4	1.6727	2.8789	2.3888

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.106		S2	S1	F4	108.106
F3	S1	F4	91.130

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

using model chemistry: B2PLYP/6-31+G**

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	0.712
2	S	-0.049
3	F	-0.331
4	F	-0.331

	x	y	z	Total
	0.336	1.717	0.000	1.750
CHELPG
AIM
ESP

	x	y	z
x	7.191	-2.301	0.000
y	-2.301	6.191	0.000
z	0.000	0.000	4.927

<r²>	114.062
(<r²>)^1/2	10.680

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

using model chemistry: B2PLYP/6-31+G**

States and conformations

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