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	hartrees
Energy at 0K	-664.171086
Energy at 298.15K	-664.173755
HF Energy	-664.171086
Nuclear repulsion energy	173.369723

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1066	974	20.11
2	A'	724	661	24.32
3	A'	363	332	11.76
4	A'	236	215	1.29
5	A"	674	616	46.96
6	A"	281	256	3.16

Atom	x (Å)	y (Å)	z (Å)
S1	0.291	0.444	0.000
O2	-1.238	0.925	0.000
F3	0.291	-0.806	1.274
F4	0.291	-0.806	-1.274

	S1	O2	F3	F4
S1		1.6028	1.7848	1.7848
O2	1.6028		2.6374	2.6374
F3	1.7848	2.6374		2.5473
F4	1.7848	2.6374	2.5473

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	102.124		O2	S1	F4	102.124
F3	S1	F4	91.060

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

using model chemistry: PBEPBE/STO-3G

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	0.558
2	O	-0.283
3	F	-0.137
4	F	-0.137

	x	y	z	Total
	1.390	0.493	0.000	1.475
CHELPG
AIM
ESP

	x	y	z
x	1.744	-0.886	0.000
y	-0.886	1.972	0.000
z	0.000	0.000	2.223

<r²>	81.183
(<r²>)^1/2	9.010

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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