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	hartrees
Energy at 0K	-669.633707
Energy at 298.15K	-669.637110
HF Energy	-669.633707
Nuclear repulsion energy	191.504362

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1378	1306	134.72
2	A'	873	827	140.79
3	A'	519	492	33.86
4	A'	355	336	5.49
5	A"	837	794	154.52
6	A"	385	365	8.23

Atom	x (Å)	y (Å)	z (Å)
S1	0.246	0.352	0.000
O2	-1.044	0.970	0.000
F3	0.246	-0.744	1.160
F4	0.246	-0.744	-1.160

	S1	O2	F3	F4
S1		1.4301	1.5951	1.5951
O2	1.4301		2.4381	2.4381
F3	1.5951	2.4381		2.3195
F4	1.5951	2.4381	2.3195

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	107.273		O2	S1	F4	107.273
F3	S1	F4	93.277

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

using model chemistry: wB97X-D/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	1.055
2	O	-0.435
3	F	-0.310
4	F	-0.310

	x	y	z	Total
	1.807	0.542	0.000	1.887
CHELPG
AIM
ESP

	x	y	z
x	2.283	-0.651	0.000
y	-0.651	2.476	0.000
z	0.000	0.000	2.458

<r²>	72.168
(<r²>)^1/2	8.495

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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