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	hartrees
Energy at 0K	-993.085173
Energy at 298.15K
HF Energy	-993.085173
Nuclear repulsion energy	237.120331

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	780	780	252.53
2	A'	719	719	49.70
3	A'	373	373	7.09
4	A'	299	299	6.16
5	A"	712	712	130.35
6	A"	251	251	0.22

Atom	x (Å)	y (Å)	z (Å)
S1	0.535	0.143	0.000
S2	-1.136	0.976	0.000
F3	0.535	-0.995	1.183
F4	0.535	-0.995	-1.183

	S1	S2	F3	F4
S1		1.8673	1.6417	1.6417
S2	1.8673		2.8422	2.8422
F3	1.6417	2.8422		2.3662
F4	1.6417	2.8422	2.3662

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.014		S2	S1	F4	108.014
F3	S1	F4	92.217

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

using model chemistry: LSDA/cc-pV(D+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	-0.140
3	F	-0.241
4	F	-0.241

	x	y	z	Total
	0.547	0.960	0.000	1.105
CHELPG
AIM
ESP

	x	y	z
x	5.910	-2.173	0.000
y	-2.173	4.735	0.000
z	0.000	0.000	3.734

<r²>	110.841
(<r²>)^1/2	10.528

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

using model chemistry: LSDA/cc-pV(D+d)Z

States and conformations

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