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	hartrees
Energy at 0K	-670.748725
Energy at 298.15K	-670.751990
HF Energy	-670.748725
Nuclear repulsion energy	190.261717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1308	1283	124.75
2	A'	826	811	136.76
3	A'	480	471	21.10
4	A'	326	320	3.31
5	A"	786	771	160.80
6	A"	345	339	4.73

Atom	x (Å)	y (Å)	z (Å)
S1	0.251	0.364	0.000
O2	-1.065	0.971	0.000
F3	0.251	-0.755	1.168
F4	0.251	-0.755	-1.168

	S1	O2	F3	F4
S1		1.4486	1.6174	1.6174
O2	1.4486		2.4644	2.4644
F3	1.6174	2.4644		2.3354
F4	1.6174	2.4644	2.3354

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.855		O2	S1	F4	106.855
F3	S1	F4	92.435

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

using model chemistry: LSDA/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	0.928
2	O	-0.387
3	F	-0.271
4	F	-0.271

	x	y	z	Total
	1.548	0.391	0.000	1.596
CHELPG
AIM
ESP

	x	y	z
x	3.004	-0.671	0.000
y	-0.671	3.173	0.000
z	0.000	0.000	3.095

<r²>	72.849
(<r²>)^1/2	8.535

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

using model chemistry: LSDA/6-31G**

States and conformations

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