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	hartrees
Energy at 0K	-672.449099
Energy at 298.15K	-672.451980
HF Energy	-672.449099
Nuclear repulsion energy	175.767560

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1058	1011	80.25
2	A'	718	686	86.25
3	A'	380	363	31.96
4	A'	239	229	4.37
5	A"	689	659	105.71
6	A"	279	266	6.82

Atom	x (Å)	y (Å)	z (Å)
S1	0.275	0.403	0.000
O2	-1.167	1.017	0.000
F3	0.275	-0.810	1.267
F4	0.275	-0.810	-1.267

	S1	O2	F3	F4
S1		1.5671	1.7542	1.7542
O2	1.5671		2.6498	2.6498
F3	1.7542	2.6498		2.5348
F4	1.7542	2.6498	2.5348

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	105.709		O2	S1	F4	105.709
F3	S1	F4	92.517

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

using model chemistry: PBE1PBE/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	1.241
2	O	-0.522
3	F	-0.359
4	F	-0.359

	x	y	z	Total
	2.177	1.571	0.000	2.684
CHELPG
AIM
ESP

	x	y	z
x	3.060	-1.158	0.000
y	-1.158	3.452	0.000
z	0.000	0.000	3.410

<r²>	83.346
(<r²>)^1/2	9.129

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

using model chemistry: PBE1PBE/6-31G

States and conformations

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