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	hartrees
Energy at 0K	-996.193860
Energy at 298.15K	-996.195110
HF Energy	-996.193860
Nuclear repulsion energy	238.195299

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	742	714	251.38
2	A'	708	682	120.05
3	A'	399	384	5.75
4	A'	325	313	7.66
5	A"	666	641	158.30
6	A"	267	257	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.537	0.127	0.000
S2	-1.141	0.972	0.000
F3	0.537	-0.976	1.161
F4	0.537	-0.976	-1.161

	S1	S2	F3	F4
S1		1.8783	1.6015	1.6015
S2	1.8783		2.8208	2.8208
F3	1.6015	2.8208		2.3216
F4	1.6015	2.8208	2.3216

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.054		S2	S1	F4	108.054
F3	S1	F4	92.912

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

using model chemistry: B3LYP/Def2TZVPP

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	0.575
2	S	-0.141
3	F	-0.217
4	F	-0.217

	x	y	z	Total
	0.505	1.003	0.000	1.123
CHELPG
AIM
ESP

	x	y	z
x	6.711	-2.005	0.000
y	-2.005	5.535	0.000
z	0.000	0.000	4.569

<r²>	110.457
(<r²>)^1/2	10.510

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

using model chemistry: B3LYP/Def2TZVPP

States and conformations

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