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	hartrees
Energy at 0K	-995.960833
Energy at 298.15K	-995.962115
HF Energy	-995.960833
Nuclear repulsion energy	237.644957

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	791	750	310.07
2	A'	734	696	32.04
3	A'	398	377	8.50
4	A'	321	304	9.26
5	A"	749	710	132.46
6	A"	258	245	0.49

Atom	x (Å)	y (Å)	z (Å)
S1	0.537	0.139	0.000
S2	-1.142	0.981	0.000
F3	0.537	-0.996	1.168
F4	0.537	-0.996	-1.168

	S1	S2	F3	F4
S1		1.8785	1.6283	1.6283
S2	1.8785		2.8444	2.8444
F3	1.6283	2.8444		2.3353
F4	1.6283	2.8444	2.3353

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.196		S2	S1	F4	108.196
F3	S1	F4	91.630

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

using model chemistry: mPW1PW91/6-31G*

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	0.839
2	S	-0.199
3	F	-0.320
4	F	-0.320

	x	y	z	Total
	1.077	0.659	0.000	1.263
CHELPG
AIM
ESP

	x	y	z
x	6.216	-2.241	0.000
y	-2.241	4.859	0.000
z	0.000	0.000	3.787

<r²>	110.901
(<r²>)^1/2	10.531

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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