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	hartrees
Energy at 0K	-669.676664
Energy at 298.15K	-669.679820
HF Energy	-669.676664
Nuclear repulsion energy	186.168576

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1226	1218	87.01
2	A'	764	759	97.73
3	A'	451	448	20.62
4	A'	297	295	2.94
5	A"	737	733	117.55
6	A"	341	339	4.82

Atom	x (Å)	y (Å)	z (Å)
S1	0.253	0.366	0.000
O2	-1.076	1.001	0.000
F3	0.253	-0.770	1.203
F4	0.253	-0.770	-1.203

	S1	O2	F3	F4
S1		1.4733	1.6541	1.6541
O2	1.4733		2.5196	2.5196
F3	1.6541	2.5196		2.4060
F4	1.6541	2.5196	2.4060

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	107.207		O2	S1	F4	107.207
F3	S1	F4	93.316

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

using model chemistry: BLYP/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	-0.380
3	F	-0.265
4	F	-0.265

	x	y	z	Total
	1.518	0.489	0.000	1.595
CHELPG
AIM
ESP

	x	y	z
x	2.443	-0.720	0.000
y	-0.720	2.746	0.000
z	0.000	0.000	2.716

<r²>	75.423
(<r²>)^1/2	8.685

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

using model chemistry: BLYP/3-21G*

States and conformations

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