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	hartrees
Energy at 0K	-996.002240
Energy at 298.15K	-996.003436
HF Energy	-996.002240
Nuclear repulsion energy	235.671160

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	761	730	294.27
2	A'	710	681	23.13
3	A'	380	364	7.88
4	A'	305	292	7.65
5	A"	713	684	124.15
6	A"	248	238	0.41

Atom	x (Å)	y (Å)	z (Å)
S1	0.537	0.123	0.000
S2	-1.141	0.993	0.000
F3	0.537	-0.991	1.170
F4	0.537	-0.991	-1.170

	S1	S2	F3	F4
S1		1.8897	1.6155	1.6155
S2	1.8897		2.8495	2.8495
F3	1.6155	2.8495		2.3395
F4	1.6155	2.8495	2.3395

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.511		S2	S1	F4	108.511
F3	S1	F4	92.782

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

using model chemistry: TPSSh/6-31G*

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	0.803
2	S	-0.185
3	F	-0.309
4	F	-0.309

	x	y	z	Total
	0.983	0.704	0.000	1.209
CHELPG
AIM
ESP

	x	y	z
x	6.265	-2.319	0.000
y	-2.319	5.011	0.000
z	0.000	0.000	3.874

<r²>	112.357
(<r²>)^1/2	10.600

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

using model chemistry: TPSSh/6-31G*

States and conformations

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