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	hartrees
Energy at 0K	-989.080855
Energy at 298.15K	-989.082411
HF Energy	-989.080855
Nuclear repulsion energy	242.753237

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	934	843	242.48
2	A'	764	690	120.58
3	A'	458	413	23.03
4	A'	370	334	18.86
5	A"	920	830	128.53
6	A"	299	270	2.88

Atom	x (Å)	y (Å)	z (Å)
S1	0.534	0.130	0.000
S2	-1.134	0.956	0.000
F3	0.534	-0.965	1.138
F4	0.534	-0.965	-1.138

	S1	S2	F3	F4
S1		1.8614	1.5798	1.5798
S2	1.8614		2.7875	2.7875
F3	1.5798	2.7875		2.2761
F4	1.5798	2.7875	2.2761

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	107.917		S2	S1	F4	107.917
F3	S1	F4	92.170

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

using model chemistry: HF/3-21G*

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	1.092
2	S	-0.350
3	F	-0.371
4	F	-0.371

	x	y	z	Total
	1.924	0.564	0.000	2.005
CHELPG
AIM
ESP

	x	y	z
x	5.188	-1.945	0.000
y	-1.945	3.832	0.000
z	0.000	0.000	3.071

<r²>	108.078
(<r²>)^1/2	10.396

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

using model chemistry: HF/3-21G*

States and conformations

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