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	hartrees
Energy at 0K	-673.079884
Energy at 298.15K	-673.083187
HF Energy	-673.079884
Nuclear repulsion energy	190.552500

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1351	1289	168.55
2	A'	784	748	186.23
3	A'	506	483	30.33
4	A'	346	331	5.24
5	A"	722	689	206.47
6	A"	372	355	4.39

Atom	x (Å)	y (Å)	z (Å)
S1	0.247	0.367	0.000
O2	-1.050	0.966	0.000
F3	0.247	-0.755	1.174
F4	0.247	-0.755	-1.174

	S1	O2	F3	F4
S1		1.4294	1.6237	1.6237
O2	1.4294		2.4545	2.4545
F3	1.6237	2.4545		2.3475
F4	1.6237	2.4545	2.3475

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.843		O2	S1	F4	106.843
F3	S1	F4	92.588

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

using model chemistry: mPW1PW91/6-311G*

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	1.090
2	O	-0.437
3	F	-0.327
4	F	-0.327

	x	y	z	Total
	1.745	0.947	0.000	1.985
CHELPG
AIM
ESP

	x	y	z
x	2.802	-0.722	0.000
y	-0.722	3.052	0.000
z	0.000	0.000	2.972

<r²>	73.303
(<r²>)^1/2	8.562

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

using model chemistry: mPW1PW91/6-311G*

States and conformations

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