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	hartrees
Energy at 0K	-672.724772
Energy at 298.15K	-672.727884
HF Energy	-672.724772
Nuclear repulsion energy	186.085880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1260	1249	130.11
2	A'	713	707	146.77
3	A'	452	448	23.06
4	A'	300	297	3.24
5	A"	655	649	177.24
6	A"	338	335	2.87

Atom	x (Å)	y (Å)	z (Å)
S1	0.250	0.373	0.000
O2	-1.064	0.992	0.000
F3	0.250	-0.773	1.211
F4	0.250	-0.773	-1.211

	S1	O2	F3	F4
S1		1.4532	1.6668	1.6668
O2	1.4532		2.5118	2.5118
F3	1.6668	2.5118		2.4215
F4	1.6668	2.5118	2.4215

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	107.033		O2	S1	F4	107.033
F3	S1	F4	93.172

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

using model chemistry: PBEPBE/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	0.976
2	O	-0.377
3	F	-0.299
4	F	-0.299

	x	y	z	Total
	1.531	1.029	0.000	1.845
CHELPG
AIM
ESP

	x	y	z
x	2.961	-0.786	0.000
y	-0.786	3.314	0.000
z	0.000	0.000	3.231

<r²>	76.183
(<r²>)^1/2	8.728

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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