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	hartrees
Energy at 0K	-67.530285
Energy at 298.15K	-67.531753
HF Energy	-67.530285
Nuclear repulsion energy	65.103800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	845	763	307.43
2	A'	726	656	169.45
3	A'	454	410	13.55
4	A'	365	330	18.06
5	A"	812	734	188.19
6	A"	289	261	0.63

Atom	x (Å)	y (Å)	z (Å)
S1	0.541	0.130	0.000
S2	-1.150	0.969	0.000
F3	0.541	-0.977	1.144
F4	0.541	-0.977	-1.144

	S1	S2	F3	F4
S1		1.8883	1.5918	1.5918
S2	1.8883		2.8209	2.8209
F3	1.5918	2.8209		2.2881
F4	1.5918	2.8209	2.2881

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	107.998		S2	S1	F4	107.998
F3	S1	F4	91.895

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

using model chemistry: HF/CEP-121G*

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	0.964
2	S	-0.325
3	F	-0.319
4	F	-0.319

	x	y	z	Total
	1.491	0.621	0.000	1.616
CHELPG
AIM
ESP

	x	y	z
x	6.323	-2.023	0.000
y	-2.023	4.922	0.000
z	0.000	0.000	3.989

<r²>	73.062
(<r²>)^1/2	8.548

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

using model chemistry: HF/CEP-121G*

States and conformations

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