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	hartrees
Energy at 0K	-669.280190
Energy at 298.15K	-669.283400
HF Energy	-669.280190
Nuclear repulsion energy	187.580031

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1260	1201	92.93
2	A'	795	758	101.92
3	A'	463	441	21.67
4	A'	306	292	3.15
5	A"	771	735	122.45
6	A"	347	331	5.31

Atom	x (Å)	y (Å)	z (Å)
S1	0.253	0.363	0.000
O2	-1.074	0.991	0.000
F3	0.253	-0.763	1.191
F4	0.253	-0.763	-1.191

	S1	O2	F3	F4
S1		1.4672	1.6395	1.6395
O2	1.4672		2.5010	2.5010
F3	1.6395	2.5010		2.3823
F4	1.6395	2.5010	2.3823

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	107.094		O2	S1	F4	107.094
F3	S1	F4	93.188

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

using model chemistry: PBEPBE/3-21G*

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	0.910
2	O	-0.384
3	F	-0.263
4	F	-0.263

	x	y	z	Total
	1.519	0.421	0.000	1.577
CHELPG
AIM
ESP

	x	y	z
x	2.443	-0.703	0.000
y	-0.703	2.704	0.000
z	0.000	0.000	2.672

<r²>	74.487
(<r²>)^1/2	8.631

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

using model chemistry: PBEPBE/3-21G*

States and conformations

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