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	hartrees
Energy at 0K	-671.381109
Energy at 298.15K	-671.384772
HF Energy	-671.381109
Nuclear repulsion energy	199.379639

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1486	1347	248.29
2	A'	948	859	232.61
3	A'	623	564	39.68
4	A'	443	401	7.48
5	A"	881	799	259.06
6	A"	457	414	9.09

Atom	x (Å)	y (Å)	z (Å)
S1	0.243	0.353	0.000
O2	-1.034	0.911	0.000
F3	0.243	-0.718	1.120
F4	0.243	-0.718	-1.120

	S1	O2	F3	F4
S1		1.3944	1.5494	1.5494
O2	1.3944		2.3537	2.3537
F3	1.5494	2.3537		2.2397
F4	1.5494	2.3537	2.2397

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.055		O2	S1	F4	106.055
F3	S1	F4	92.566

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

using model chemistry: HF/Def2TZVPP

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	1.036
2	O	-0.504
3	F	-0.266
4	F	-0.266

	x	y	z	Total
	1.967	0.138	0.000	1.972
CHELPG
AIM
ESP

	x	y	z
x	2.902	-0.488	0.000
y	-0.488	2.959	0.000
z	0.000	0.000	2.953

<r²>	68.160
(<r²>)^1/2	8.256

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

using model chemistry: HF/Def2TZVPP

States and conformations

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