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	hartrees
Energy at 0K	-996.017142
Energy at 298.15K	-996.018461
HF Energy	-996.017142
Nuclear repulsion energy	239.764491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	768	741	293.90
2	A'	732	706	71.27
3	A'	409	394	5.54
4	A'	332	320	7.86
5	A"	700	675	150.02
6	A"	271	261	0.02

Atom	x (Å)	y (Å)	z (Å)
S1	0.533	0.137	0.000
S2	-1.133	0.969	0.000
F3	0.533	-0.982	1.162
F4	0.533	-0.982	-1.162

	S1	S2	F3	F4
S1		1.8621	1.6134	1.6134
S2	1.8621		2.8164	2.8164
F3	1.6134	2.8164		2.3244
F4	1.6134	2.8164	2.3244

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.052		S2	S1	F4	108.052
F3	S1	F4	92.164

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

using model chemistry: B3PW91/cc-pV(T+d)Z

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	0.621
2	S	-0.177
3	F	-0.222
4	F	-0.222

	x	y	z	Total
	0.606	0.755	0.000	0.968
CHELPG
AIM
ESP

	x	y	z
x	6.598	-1.950	0.000
y	-1.950	5.428	0.000
z	0.000	0.000	4.495

<r²>	109.142
(<r²>)^1/2	10.447

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

using model chemistry: B3PW91/cc-pV(T+d)Z

States and conformations

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