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	hartrees
Energy at 0K	-670.796374
Energy at 298.15K	-670.799715
HF Energy	-670.796374
Nuclear repulsion energy	193.189654

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1329	1308	113.53
2	A'	821	808	130.82
3	A'	505	497	17.05
4	A'	349	344	2.50
5	A"	776	764	152.36
6	A"	373	367	3.60

Atom	x (Å)	y (Å)	z (Å)
S1	0.249	0.357	0.000
O2	-1.056	0.946	0.000
F3	0.249	-0.738	1.153
F4	0.249	-0.738	-1.153

	S1	O2	F3	F4
S1		1.4317	1.5902	1.5902
O2	1.4317		2.4225	2.4225
F3	1.5902	2.4225		2.3068
F4	1.5902	2.4225	2.3068

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.461		O2	S1	F4	106.461
F3	S1	F4	92.991

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

using model chemistry: LSDA/6-31G(2df,p)

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	0.226
2	O	-0.126
3	F	-0.050
4	F	-0.050

	x	y	z	Total
	1.397	0.096	0.000	1.400
CHELPG
AIM
ESP

	x	y	z
x	3.261	-0.528	0.000
y	-0.528	3.405	0.000
z	0.000	0.000	3.387

<r²>	70.934
(<r²>)^1/2	8.422

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

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

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