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	hartrees
Energy at 0K	-673.065940
Energy at 298.15K	-673.069296
HF Energy	-673.065940
Nuclear repulsion energy	191.723014

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1342	1291	155.18
2	A'	805	774	177.82
3	A'	514	494	23.09
4	A'	356	343	3.40
5	A"	742	714	206.07
6	A"	382	367	3.47

Atom	x (Å)	y (Å)	z (Å)
S1	0.248	0.362	0.000
O2	-1.056	0.951	0.000
F3	0.248	-0.744	1.167
F4	0.248	-0.744	-1.167

	S1	O2	F3	F4
S1		1.4310	1.6084	1.6084
O2	1.4310		2.4366	2.4366
F3	1.6084	2.4366		2.3346
F4	1.6084	2.4366	2.3346

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.434		O2	S1	F4	106.434
F3	S1	F4	93.068

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

using model chemistry: B3PW91/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	0.818
2	O	-0.355
3	F	-0.231
4	F	-0.231

	x	y	z	Total
	1.626	0.501	0.000	1.702
CHELPG
AIM
ESP

	x	y	z
x	3.186	-0.602	0.000
y	-0.602	3.374	0.000
z	0.000	0.000	3.332

<r²>	72.225
(<r²>)^1/2	8.499

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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