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	hartrees
Energy at 0K	-672.949770
Energy at 298.15K	-672.953126
HF Energy	-672.949770
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1379	1308	164.85
2	A'	848	804	169.41
3	A'	514	488	28.26
4	A'	355	336	4.50
5	A"	797	756	190.25
6	A"	371	352	5.77

Atom	x (Å)	y (Å)	z (Å)
S1	0.245	0.352	0.000
O2	-1.043	0.969	0.000
F3	0.245	-0.744	1.162
F4	0.245	-0.744	-1.162

	S1	O2	F3	F4
S1		1.4290	1.5972	1.5972
O2	1.4290		2.4385	2.4385
F3	1.5972	2.4385		2.3244
F4	1.5972	2.4385	2.3244

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	107.244		O2	S1	F4	107.244
F3	S1	F4	93.376

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

using model chemistry: wB97X-D/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	1.121
2	O	-0.463
3	F	-0.329
4	F	-0.329

	x	y	z	Total
	1.765	0.521	0.000	1.840
CHELPG
AIM
ESP

	x	y	z
x	2.867	-0.654	0.000
y	-0.654	3.048	0.000
z	0.000	0.000	2.994

<r²>	72.384
(<r²>)^1/2	8.508

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

using model chemistry: wB97X-D/6-31G*

States and conformations

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