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	hartrees
Energy at 0K	-673.048348
Energy at 298.15K	-673.051670
HF Energy	-673.048348
Nuclear repulsion energy	190.775385

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1380	1320	177.05
2	A'	787	752	194.70
3	A'	510	488	31.74
4	A'	348	333	5.23
5	A"	720	688	214.81
6	A"	376	360	4.44

Atom	x (Å)	y (Å)	z (Å)
S1	0.245	0.354	0.000
O2	-1.041	0.962	0.000
F3	0.245	-0.742	1.166
F4	0.245	-0.742	-1.166

	S1	O2	F3	F4
S1		1.4228	1.6000	1.6000
O2	1.4228		2.4327	2.4327
F3	1.6000	2.4327		2.3317
F4	1.6000	2.4327	2.3317

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	107.036		O2	S1	F4	107.036
F3	S1	F4	93.550

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

using model chemistry: wB97X-D/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	1.102
2	O	-0.441
3	F	-0.331
4	F	-0.331

	x	y	z	Total
	1.788	0.979	0.000	2.038
CHELPG
AIM
ESP

	x	y	z
x	2.777	-0.718	0.000
y	-0.718	3.033	0.000
z	0.000	0.000	2.958

<r²>	73.190
(<r²>)^1/2	8.555

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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