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	hartrees
Energy at 0K	-996.038773
Energy at 298.15K
HF Energy	-996.038773
Nuclear repulsion energy	231.027197

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	711	711	184.72
2	A'	645	645	92.70
3	A'	340	340	8.33
4	A'	272	272	4.19
5	A"	622	622	120.38
6	A"	235	235	0.09

Atom	x (Å)	y (Å)	z (Å)
S1	0.540	0.142	0.000
S2	-1.148	1.012	0.000
F3	0.540	-1.026	1.227
F4	0.540	-1.026	-1.227

	S1	S2	F3	F4
S1		1.8992	1.6937	1.6937
S2	1.8992		2.9168	2.9168
F3	1.6937	2.9168		2.4547
F4	1.6937	2.9168	2.4547

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.417		S2	S1	F4	108.417
F3	S1	F4	92.885

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

using model chemistry: BLYP/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	0.671
2	S	-0.134
3	F	-0.269
4	F	-0.269

	x	y	z	Total
	0.510	1.257	0.000	1.356
CHELPG
AIM
ESP

	x	y	z
x	5.992	-2.354	0.000
y	-2.354	5.050	0.000
z	0.000	0.000	3.941

<r²>	115.727
(<r²>)^1/2	10.758

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

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

States and conformations

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