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	hartrees
Energy at 0K	-672.894366
Energy at 298.15K	-672.897683
HF Energy	-672.894366
Nuclear repulsion energy	190.199548

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1331	1276	150.41
2	A'	827	793	157.02
3	A'	501	480	25.56
4	A'	344	329	4.07
5	A"	780	747	178.95
6	A"	361	346	5.17

Atom	x (Å)	y (Å)	z (Å)
S1	0.249	0.363	0.000
O2	-1.058	0.975	0.000
F3	0.249	-0.756	1.172
F4	0.249	-0.756	-1.172

	S1	O2	F3	F4
S1		1.4428	1.6204	1.6204
O2	1.4428		2.4650	2.4650
F3	1.6204	2.4650		2.3437
F4	1.6204	2.4650	2.3437

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	107.024		O2	S1	F4	107.024
F3	S1	F4	92.634

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

using model chemistry: B3PW91/6-31G**

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	1.094
2	O	-0.450
3	F	-0.322
4	F	-0.322

	x	y	z	Total
	1.690	0.517	0.000	1.767
CHELPG
AIM
ESP

	x	y	z
x	2.911	-0.674	0.000
y	-0.674	3.108	0.000
z	0.000	0.000	3.044

<r²>	72.988
(<r²>)^1/2	8.543

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

using model chemistry: B3PW91/6-31G**

States and conformations

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