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	hartrees
Energy at 0K	-988.282827
Energy at 298.15K	-988.284056
HF Energy	-988.282827
Nuclear repulsion energy	238.033424

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	811	797	227.23
2	A'	730	717	23.06
3	A'	371	365	8.97
4	A'	292	287	5.10
5	A"	780	766	88.12
6	A"	245	240	1.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.531	0.129	0.000
S2	-1.129	0.990	0.000
F3	0.531	-0.995	1.175
F4	0.531	-0.995	-1.175

	S1	S2	F3	F4
S1		1.8706	1.6258	1.6258
S2	1.8706		2.8420	2.8420
F3	1.6258	2.8420		2.3491
F4	1.6258	2.8420	2.3491

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.546		S2	S1	F4	108.546
F3	S1	F4	92.515

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

using model chemistry: LSDA/3-21G*

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	0.667
2	S	-0.203
3	F	-0.232
4	F	-0.232

	x	y	z	Total
	1.095	0.337	0.000	1.146
CHELPG
AIM
ESP

	x	y	z
x	5.603	-2.224	0.000
y	-2.224	4.437	0.000
z	0.000	0.000	3.389

<r²>	110.680
(<r²>)^1/2	10.520

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

using model chemistry: LSDA/3-21G*

States and conformations

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