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	hartrees
Energy at 0K	-995.969635
Energy at 298.15K	-995.970644
HF Energy	-995.969635
Nuclear repulsion energy	230.906476

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	700	694	239.75
2	A'	654	649	33.52
3	A'	341	338	7.27
4	A'	270	268	4.38
5	A"	643	638	111.80
6	A"	229	227	0.23

Atom	x (Å)	y (Å)	z (Å)
S1	0.546	0.138	0.000
S2	-1.159	1.017	0.000
F3	0.546	-1.027	1.215
F4	0.546	-1.027	-1.215

	S1	S2	F3	F4
S1		1.9178	1.6834	1.6834
S2	1.9178		2.9256	2.9256
F3	1.6834	2.9256		2.4297
F4	1.6834	2.9256	2.4297

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.484		S2	S1	F4	108.484
F3	S1	F4	92.389

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

using model chemistry: BLYP/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	0.732
2	S	-0.152
3	F	-0.290
4	F	-0.290

	x	y	z	Total
	0.831	0.865	0.000	1.200
CHELPG
AIM
ESP

	x	y	z
x	6.456	-2.473	0.000
y	-2.473	5.284	0.000
z	0.000	0.000	4.060

<r²>	116.155
(<r²>)^1/2	10.778

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

using model chemistry: BLYP/6-31G**

States and conformations

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