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	hartrees
Energy at 0K	-672.618213
Energy at 298.15K	-672.621397
HF Energy	-672.618213
Nuclear repulsion energy	187.195086

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1263	1245	120.96
2	A'	777	767	129.49
3	A'	464	457	19.65
4	A'	311	306	2.86
5	A"	734	724	156.60
6	A"	336	332	3.85

Atom	x (Å)	y (Å)	z (Å)
S1	0.252	0.367	0.000
O2	-1.069	0.994	0.000
F3	0.252	-0.768	1.195
F4	0.252	-0.768	-1.195

	S1	O2	F3	F4
S1		1.4623	1.6473	1.6473
O2	1.4623		2.5050	2.5050
F3	1.6473	2.5050		2.3896
F4	1.6473	2.5050	2.3896

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	107.181		O2	S1	F4	107.181
F3	S1	F4	92.987

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

using model chemistry: PBEPBE/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
	1.498	0.500	0.000	1.580
CHELPG
AIM
ESP

	x	y	z
x	3.038	-0.719	0.000
y	-0.719	3.292	0.000
z	0.000	0.000	3.217

<r²>	74.849
(<r²>)^1/2	8.652

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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