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	hartrees
Energy at 0K	-669.711714
Energy at 298.15K	-669.715040
HF Energy	-669.711714
Nuclear repulsion energy	189.955889

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1314	1264	114.85
2	A'	838	806	124.60
3	A'	496	477	28.95
4	A'	338	325	4.84
5	A"	806	776	138.46
6	A"	369	355	7.04

Atom	x (Å)	y (Å)	z (Å)
S1	0.250	0.363	0.000
O2	-1.064	0.978	0.000
F3	0.250	-0.757	1.170
F4	0.250	-0.757	-1.170

	S1	O2	F3	F4
S1		1.4504	1.6196	1.6196
O2	1.4504		2.4705	2.4705
F3	1.6196	2.4705		2.3403
F4	1.6196	2.4705	2.3403

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	107.038		O2	S1	F4	107.038
F3	S1	F4	92.521

All results from a given calculation for F₂SO (Thionyl Fluoride)

using model chemistry: B3LYP/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	1.011
2	O	-0.418
3	F	-0.297
4	F	-0.297

	x	y	z	Total
	1.716	0.532	0.000	1.797
CHELPG
AIM
ESP

	x	y	z
x	2.336	-0.678	0.000
y	-0.678	2.559	0.000
z	0.000	0.000	2.529

<r²>	73.064
(<r²>)^1/2	8.548

All results from a given calculation for F2SO (Thionyl Fluoride)

using model chemistry: B3LYP/3-21G*

States and conformations

All results from a given calculation for F₂SO (Thionyl Fluoride)