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	hartrees
Energy at 0K	-672.618199
Energy at 298.15K	-672.621371
HF Energy	-672.618199
Nuclear repulsion energy	187.181564

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1264	1243	120.91
2	A'	776	763	129.66
3	A'	463	456	19.60
4	A'	310	305	2.84
5	A"	733	721	156.71
6	A"	335	330	3.75

Atom	x (Å)	y (Å)	z (Å)
S1	0.252	0.366	0.000
O2	-1.069	0.995	0.000
F3	0.252	-0.768	1.195
F4	0.252	-0.768	-1.195

	S1	O2	F3	F4
S1		1.4623	1.6474	1.6474
O2	1.4623		2.5054	2.5054
F3	1.6474	2.5054		2.3898
F4	1.6474	2.5054	2.3898

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	107.201		O2	S1	F4	107.201
F3	S1	F4	92.993

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

using model chemistry: PBEPBEultrafine/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	0.981
2	O	-0.401
3	F	-0.290
4	F	-0.290

	x	y	z	Total
	1.497	0.500	0.000	1.578
CHELPG
AIM
ESP

	x	y	z
x	3.037	-0.720	0.000
y	-0.720	3.294	0.000
z	0.000	0.000	3.218

<r²>	74.861
(<r²>)^1/2	8.652

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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