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	hartrees
Energy at 0K	-673.190761
Energy at 298.15K	-673.194161
HF Energy	-673.190761
Nuclear repulsion energy	193.134957

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1364	1306	160.18
2	A'	831	795	182.66
3	A'	525	503	24.35
4	A'	367	351	4.02
5	A"	768	735	208.93
6	A"	387	370	4.29

Atom	x (Å)	y (Å)	z (Å)
S1	0.248	0.361	0.000
O2	-1.053	0.942	0.000
F3	0.248	-0.740	1.155
F4	0.248	-0.740	-1.155

	S1	O2	F3	F4
S1		1.4248	1.5953	1.5953
O2	1.4248		2.4193	2.4193
F3	1.5953	2.4193		2.3093
F4	1.5953	2.4193	2.3093

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.329		O2	S1	F4	106.329
F3	S1	F4	92.736

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

using model chemistry: B1B95/cc-pVTZ

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	0.797
2	O	-0.352
3	F	-0.222
4	F	-0.222

	x	y	z	Total
	1.664	0.479	0.000	1.732
CHELPG
AIM
ESP

	x	y	z
x	3.145	-0.583	0.000
y	-0.583	3.302	0.000
z	0.000	0.000	3.261

<r²>	71.319
(<r²>)^1/2	8.445

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

using model chemistry: B1B95/cc-pVTZ

States and conformations

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