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	hartrees
Energy at 0K	-993.854632
Energy at 298.15K	-993.856111
HF Energy	-993.854632
Nuclear repulsion energy	239.578484

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	854	776	287.90
2	A'	739	671	138.50
3	A'	443	402	15.53
4	A'	359	326	17.13
5	A"	827	751	173.53
6	A"	291	265	1.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.541	0.136	0.000
S2	-1.149	0.964	0.000
F3	0.541	-0.978	1.154
F4	0.541	-0.978	-1.154

	S1	S2	F3	F4
S1		1.8815	1.6044	1.6044
S2	1.8815		2.8214	2.8214
F3	1.6044	2.8214		2.3080
F4	1.6044	2.8214	2.3080

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	107.805		S2	S1	F4	107.805
F3	S1	F4	91.988

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

using model chemistry: HF/cc-pVDZ

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	1.019
2	S	-0.285
3	F	-0.367
4	F	-0.367

	x	y	z	Total
	1.419	0.970	0.000	1.719
CHELPG
AIM
ESP

	x	y	z
x	5.592	-2.019	0.000
y	-2.019	4.309	0.000
z	0.000	0.000	3.479

<r²>	110.095
(<r²>)^1/2	10.493

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

using model chemistry: HF/cc-pVDZ

States and conformations

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