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	hartrees
Energy at 0K	-669.569499
Energy at 298.15K	-669.572939
HF Energy	-669.569499
Nuclear repulsion energy	192.570228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1361	1289	139.66
2	A'	892	845	148.90
3	A'	534	506	38.15
4	A'	373	353	7.03
5	A"	848	803	154.77
6	A"	386	365	9.58

Atom	x (Å)	y (Å)	z (Å)
S1	0.249	0.363	0.000
O2	-1.059	0.961	0.000
F3	0.249	-0.750	1.144
F4	0.249	-0.750	-1.144

	S1	O2	F3	F4
S1		1.4380	1.5961	1.5961
O2	1.4380		2.4382	2.4382
F3	1.5961	2.4382		2.2889
F4	1.5961	2.4382	2.2889

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.839		O2	S1	F4	106.839
F3	S1	F4	91.624

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

using model chemistry: M06-2X/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	1.091
2	O	-0.447
3	F	-0.322
4	F	-0.322

	x	y	z	Total
	1.948	0.626	0.000	2.046
CHELPG
AIM
ESP

	x	y	z
x	2.270	-0.661	0.000
y	-0.661	2.410	0.000
z	0.000	0.000	2.386

<r²>	71.563
(<r²>)^1/2	8.459

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

using model chemistry: M06-2X/3-21G*

States and conformations

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