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	hartrees
Energy at 0K	-672.917777
Energy at 298.15K	-672.920960
HF Energy	-672.917777
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1266	1242	125.34
2	A'	770	755	135.48
3	A'	468	458	20.51
4	A'	313	307	2.77
5	A"	725	711	163.77
6	A"	342	336	3.70

Atom	x (Å)	y (Å)	z (Å)
S1	0.251	0.366	0.000
O2	-1.065	0.991	0.000
F3	0.251	-0.766	1.198
F4	0.251	-0.766	-1.198

	S1	O2	F3	F4
S1		1.4572	1.6479	1.6479
O2	1.4572		2.5009	2.5009
F3	1.6479	2.5009		2.3968
F4	1.6479	2.5009	2.3968

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	107.587		O2	S1	F4	107.587
F3	S1	F4	94.565

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

using model chemistry: B97D3/6-31G*

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	1.021
2	O	-0.411
3	F	-0.305
4	F	-0.305

	x	y	z	Total
	1.539	0.587	0.000	1.647
CHELPG
AIM
ESP

	x	y	z
x	3.005	-0.722	0.000
y	-0.722	3.268	0.000
z	0.000	0.000	3.205

<r²>	74.745
(<r²>)^1/2	8.646

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

using model chemistry: B97D3/6-31G*

States and conformations

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