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	hartrees
Energy at 0K	-73.068684
Energy at 298.15K	-73.071765
HF Energy	-73.068684
Nuclear repulsion energy	65.631029

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	904	825	76.94
2	A'	779	710	165.22
3	A'	419	382	52.97
4	A'	308	281	10.10
5	A"	758	691	162.15
6	A"	304	277	8.36

Atom	x (Å)	y (Å)	z (Å)
S1	0.276	0.399	0.000
O2	-1.172	0.989	0.000
F3	0.276	-0.794	1.234
F4	0.276	-0.794	-1.234

	S1	O2	F3	F4
S1		1.5632	1.7168	1.7168
O2	1.5632		2.6076	2.6076
F3	1.7168	2.6076		2.4681
F4	1.7168	2.6076	2.4681

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	105.218		O2	S1	F4	105.218
F3	S1	F4	91.910

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

using model chemistry: HF/CEP-121G

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	1.388
2	O	-0.552
3	F	-0.418
4	F	-0.418

	x	y	z	Total
	2.966	1.824	0.000	3.482
CHELPG
AIM
ESP

	x	y	z
x	3.106	-1.174	0.000
y	-1.174	3.637	0.000
z	0.000	0.000	3.721

<r²>	65.468
(<r²>)^1/2	8.091

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

using model chemistry: HF/CEP-121G

States and conformations

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