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	hartrees
Energy at 0K	-673.224909
Energy at 298.15K	-673.228238
HF Energy	-673.224909
Nuclear repulsion energy	187.883817

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1258	1258	137.50
2	A'	714	714	156.65
3	A'	464	464	18.76
4	A'	317	317	1.98
5	A"	643	643	198.13
6	A"	351	351	1.63

Atom	x (Å)	y (Å)	z (Å)
S1	0.249	0.369	0.000
O2	-1.059	0.977	0.000
F3	0.249	-0.762	1.200
F4	0.249	-0.762	-1.200

	S1	O2	F3	F4
S1		1.4432	1.6489	1.6489
O2	1.4432		2.4853	2.4853
F3	1.6489	2.4853		2.4001
F4	1.6489	2.4853	2.4001

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.796		O2	S1	F4	106.796
F3	S1	F4	93.406

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

using model chemistry: BLYP/aug-cc-pV(T+d)Z

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	1.386
2	O	-0.579
3	F	-0.404
4	F	-0.404

	x	y	z	Total
	1.469	0.726	0.000	1.639
CHELPG
AIM
ESP

	x	y	z
x	4.116	-0.620	0.000
y	-0.620	4.436	0.000
z	0.000	0.000	4.384

<r²>	75.160
(<r²>)^1/2	8.670

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

using model chemistry: BLYP/aug-cc-pV(T+d)Z

States and conformations

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