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	hartrees
Energy at 0K	-673.071229
Energy at 298.15K	-673.074454
HF Energy	-673.071229
Nuclear repulsion energy	188.065075

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1301	1254	170.51
2	A'	762	735	189.90
3	A'	481	464	26.44
4	A'	328	316	4.03
5	A"	700	675	225.60
6	A"	356	344	3.78

Atom	x (Å)	y (Å)	z (Å)
S1	0.250	0.372	0.000
O2	-1.063	0.976	0.000
F3	0.250	-0.764	1.192
F4	0.250	-0.764	-1.192

	S1	O2	F3	F4
S1		1.4457	1.6464	1.6464
O2	1.4457		2.4849	2.4849
F3	1.6464	2.4849		2.3838
F4	1.6464	2.4849	2.3838

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.777		O2	S1	F4	106.777
F3	S1	F4	92.759

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

using model chemistry: B3LYP/6-31+G**

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	1.285
2	O	-0.526
3	F	-0.380
4	F	-0.380

	x	y	z	Total
	1.737	1.016	0.000	2.013
CHELPG
AIM
ESP

	x	y	z
x	3.622	-0.757	0.000
y	-0.757	3.888	0.000
z	0.000	0.000	3.780

<r²>	75.097
(<r²>)^1/2	8.666

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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