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	hartrees
Energy at 0K	-672.632023
Energy at 298.15K	-672.635369
HF Energy	-672.632023
Nuclear repulsion energy	191.090272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1350	1282	155.88
2	A'	847	805	160.75
3	A'	511	485	26.73
4	A'	353	335	4.42
5	A"	800	760	181.74
6	A"	367	349	5.60

Atom	x (Å)	y (Å)	z (Å)
S1	0.249	0.362	0.000
O2	-1.056	0.969	0.000
F3	0.249	-0.753	1.164
F4	0.249	-0.753	-1.164

	S1	O2	F3	F4
S1		1.4391	1.6116	1.6116
O2	1.4391		2.4540	2.4540
F3	1.6116	2.4540		2.3285
F4	1.6116	2.4540	2.3285

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.970		O2	S1	F4	106.970
F3	S1	F4	92.505

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

using model chemistry: PBE1PBE/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	1.101
2	O	-0.455
3	F	-0.323
4	F	-0.323

	x	y	z	Total
	1.703	0.468	0.000	1.766
CHELPG
AIM
ESP

	x	y	z
x	2.895	-0.661	0.000
y	-0.661	3.070	0.000
z	0.000	0.000	3.010

<r²>	72.456
(<r²>)^1/2	8.512

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

using model chemistry: PBE1PBE/6-31G*

States and conformations

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