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	hartrees
Energy at 0K	-673.060855
Energy at 298.15K	-673.064050
HF Energy	-673.060855
Nuclear repulsion energy	188.465624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1255	1248	107.06
2	A'	744	740	123.44
3	A'	471	468	15.86
4	A'	320	318	1.89
5	A"	694	690	149.14
6	A"	354	352	2.25

Atom	x (Å)	y (Å)	z (Å)
S1	0.250	0.364	0.000
O2	-1.064	0.977	0.000
F3	0.250	-0.758	1.193
F4	0.250	-0.758	-1.193

	S1	O2	F3	F4
S1		1.4501	1.6372	1.6372
O2	1.4501		2.4819	2.4819
F3	1.6372	2.4819		2.3861
F4	1.6372	2.4819	2.3861

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.853		O2	S1	F4	106.853
F3	S1	F4	93.563

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

using model chemistry: BLYP/6-31G(2df,p)

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	0.339
2	O	-0.141
3	F	-0.099
4	F	-0.099

	x	y	z	Total
	1.375	0.347	0.000	1.418
CHELPG
AIM
ESP

	x	y	z
x	3.306	-0.585	0.000
y	-0.585	3.564	0.000
z	0.000	0.000	3.549

<r²>	73.962
(<r²>)^1/2	8.600

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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