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	hartrees
Energy at 0K	-673.200658
Energy at 298.15K	-673.203803
HF Energy	-673.200658
Nuclear repulsion energy	186.657902

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1246	1242	126.04
2	A'	719	717	150.52
3	A'	458	456	19.17
4	A'	309	308	1.99
5	A"	655	653	185.50
6	A"	347	346	1.79

Atom	x (Å)	y (Å)	z (Å)
S1	0.252	0.372	0.000
O2	-1.069	0.978	0.000
F3	0.252	-0.765	1.209
F4	0.252	-0.765	-1.209

	S1	O2	F3	F4
S1		1.4536	1.6594	1.6594
O2	1.4536		2.4991	2.4991
F3	1.6594	2.4991		2.4180
F4	1.6594	2.4991	2.4180

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.605		O2	S1	F4	106.605
F3	S1	F4	93.535

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

using model chemistry: BLYP/cc-pVTZ

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	0.820
2	O	-0.333
3	F	-0.243
4	F	-0.243

	x	y	z	Total
	1.513	0.761	0.000	1.693
CHELPG
AIM
ESP

	x	y	z
x	3.333	-0.678	0.000
y	-0.678	3.638	0.000
z	0.000	0.000	3.596

<r²>	75.584
(<r²>)^1/2	8.694

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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