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	hartrees
Energy at 0K	-672.718729
Energy at 298.15K	-672.721567
HF Energy	-672.718729
Nuclear repulsion energy	174.753426

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1046	1002	77.01
2	A'	698	669	83.22
3	A'	372	356	30.16
4	A'	230	221	4.00
5	A"	671	643	104.42
6	A"	275	263	6.32

Atom	x (Å)	y (Å)	z (Å)
S1	0.275	0.403	0.000
O2	-1.169	1.022	0.000
F3	0.275	-0.812	1.282
F4	0.275	-0.812	-1.282

	S1	O2	F3	F4
S1		1.5712	1.7659	1.7659
O2	1.5712		2.6629	2.6629
F3	1.7659	2.6629		2.5630
F4	1.7659	2.6629	2.5630

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	105.727		O2	S1	F4	105.727
F3	S1	F4	93.054

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	1.217
2	O	-0.510
3	F	-0.354
4	F	-0.354

	x	y	z	Total
	2.125	1.596	0.000	2.658
CHELPG
AIM
ESP

<r²>	84.132
(<r²>)^1/2	9.172

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)