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	hartrees
Energy at 0K	-996.063728
Energy at 298.15K	-996.064930
HF Energy	-996.063728
Nuclear repulsion energy	236.709472

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	749	715	220.77
2	A'	695	663	162.15
3	A'	388	370	10.90
4	A'	314	299	10.04
5	A"	657	627	148.62
6	A"	257	246	0.24

Atom	x (Å)	y (Å)	z (Å)
S1	0.535	0.146	0.000
S2	-1.137	0.981	0.000
F3	0.535	-1.002	1.179
F4	0.535	-1.002	-1.179

	S1	S2	F3	F4
S1		1.8690	1.6463	1.6463
S2	1.8690		2.8498	2.8498
F3	1.6463	2.8498		2.3583
F4	1.6463	2.8498	2.3583

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.159		S2	S1	F4	108.159
F3	S1	F4	91.489

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

using model chemistry: mPW1PW91/6-311G*

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	0.802
2	S	-0.172
3	F	-0.315
4	F	-0.315

	x	y	z	Total
	0.775	1.348	0.000	1.555
CHELPG
AIM
ESP

	x	y	z
x	6.296	-2.364	0.000
y	-2.364	4.892	0.000
z	0.000	0.000	3.751

<r²>	111.932
(<r²>)^1/2	10.580

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

using model chemistry: mPW1PW91/6-311G*

States and conformations

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