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	hartrees
Energy at 0K	-673.150753
Energy at 298.15K	-673.153979
HF Energy	-673.150753
Nuclear repulsion energy	188.695498

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1316	1271	157.58
2	A'	751	726	176.88
3	A'	486	469	28.79
4	A'	330	319	4.56
5	A"	687	664	198.18
6	A"	359	347	3.75

Atom	x (Å)	y (Å)	z (Å)
S1	0.248	0.371	0.000
O2	-1.055	0.976	0.000
F3	0.248	-0.764	1.189
F4	0.248	-0.764	-1.189

	S1	O2	F3	F4
S1		1.4365	1.6431	1.6431
O2	1.4365		2.4773	2.4773
F3	1.6431	2.4773		2.3774
F4	1.6431	2.4773	2.3774

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.915		O2	S1	F4	106.915
F3	S1	F4	92.683

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

using model chemistry: B3LYP/6-311G*

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	1.088
2	O	-0.427
3	F	-0.330
4	F	-0.330

	x	y	z	Total
	1.736	1.064	0.000	2.036
CHELPG
AIM
ESP

	x	y	z
x	2.832	-0.739	0.000
y	-0.739	3.135	0.000
z	0.000	0.000	3.052

<r²>	74.562
(<r²>)^1/2	8.635

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

using model chemistry: B3LYP/6-311G*

States and conformations

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