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	hartrees
Energy at 0K	-995.756830
Energy at 298.15K	-995.758350
HF Energy	-995.756830
Nuclear repulsion energy	240.333932

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	774	774	284.44
2	A'	737	737	80.69
3	A'	414	414	4.91
4	A'	336	336	8.66
5	A"	702	702	147.15
6	A"	273	273	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.532	0.138	0.000
S2	-1.131	0.966	0.000
F3	0.532	-0.982	1.157
F4	0.532	-0.982	-1.157

	S1	S2	F3	F4
S1		1.8576	1.6100	1.6100
S2	1.8576		2.8104	2.8104
F3	1.6100	2.8104		2.3143
F4	1.6100	2.8104	2.3143

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.068		S2	S1	F4	108.068
F3	S1	F4	91.899

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

using model chemistry: HSEh1PBE/aug-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	0.914
2	S	-0.133
3	F	-0.390
4	F	-0.390

	x	y	z	Total
	0.506	0.820	0.000	0.964
CHELPG
AIM
ESP

	x	y	z
x	7.461	-1.674	0.000
y	-1.674	6.664	0.000
z	0.000	0.000	5.760

<r²>	108.956
(<r²>)^1/2	10.438

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

using model chemistry: HSEh1PBE/aug-cc-pV(T+d)Z

States and conformations

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