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	hartrees
Energy at 0K	-673.137191
Energy at 298.15K	-673.140219
HF Energy	-673.137191
Nuclear repulsion energy	184.298929

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1229	1226	125.67
2	A'	682	681	141.37
3	A'	435	434	23.07
4	A'	286	286	2.91
5	A"	621	619	172.42
6	A"	329	328	2.32

Atom	x (Å)	y (Å)	z (Å)
S1	0.251	0.377	0.000
O2	-1.067	1.003	0.000
F3	0.251	-0.781	1.227
F4	0.251	-0.781	-1.227

	S1	O2	F3	F4
S1		1.4588	1.6870	1.6870
O2	1.4588		2.5347	2.5347
F3	1.6870	2.5347		2.4542
F4	1.6870	2.5347	2.4542

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	107.137		O2	S1	F4	107.137
F3	S1	F4	93.337

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

using model chemistry: BLYP/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	1.003
2	O	-0.381
3	F	-0.311
4	F	-0.311

	x	y	z	Total
	1.564	1.174	0.000	1.956
CHELPG
AIM
ESP

	x	y	z
x	2.964	-0.804	0.000
y	-0.804	3.380	0.000
z	0.000	0.000	3.303

<r²>	77.510
(<r²>)^1/2	8.804

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

using model chemistry: BLYP/6-311G*

States and conformations

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