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	hartrees
Energy at 0K	-673.025992
Energy at 298.15K	-673.029117
HF Energy	-673.025992
Nuclear repulsion energy	186.452314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1269	1251	134.69
2	A'	711	701	153.50
3	A'	457	450	24.19
4	A'	303	299	3.02
5	A"	650	640	185.00
6	A"	344	339	2.57

Atom	x (Å)	y (Å)	z (Å)
S1	0.249	0.372	0.000
O2	-1.060	0.988	0.000
F3	0.249	-0.769	1.212
F4	0.249	-0.769	-1.212

	S1	O2	F3	F4
S1		1.4473	1.6648	1.6648
O2	1.4473		2.5044	2.5044
F3	1.6648	2.5044		2.4244
F4	1.6648	2.5044	2.4244

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	107.356		O2	S1	F4	107.356
F3	S1	F4	94.749

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

using model chemistry: B97D3/6-311G**

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	1.021
2	O	-0.392
3	F	-0.314
4	F	-0.314

	x	y	z	Total
	1.564	1.090	0.000	1.906
CHELPG
AIM
ESP

	x	y	z
x	2.926	-0.784	0.000
y	-0.784	3.279	0.000
z	0.000	0.000	3.211

<r²>	75.893
(<r²>)^1/2	8.712

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

using model chemistry: B97D3/6-311G**

States and conformations

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