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	hartrees
Energy at 0K	-672.867140
Energy at 298.15K	-672.870703
HF Energy	-672.867140
Nuclear repulsion energy	193.646573

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1367	1367	166.62
2	A'	815	815	179.55
3	A'	530	530	22.59
4	A'	371	371	3.71
5	A"	750	750	210.58
6	A"	392	392	3.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.246	0.358	0.000
O2	-1.046	0.945	0.000
F3	0.246	-0.738	1.154
F4	0.246	-0.738	-1.154

	S1	O2	F3	F4
S1		1.4192	1.5910	1.5910
O2	1.4192		2.4151	2.4151
F3	1.5910	2.4151		2.3077
F4	1.5910	2.4151	2.3077

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.561		O2	S1	F4	106.561
F3	S1	F4	92.979

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

using model chemistry: HSEh1PBE/aug-cc-pV(T+d)Z

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	1.344
2	O	-0.583
3	F	-0.380
4	F	-0.380

	x	y	z	Total
	1.581	0.380	0.000	1.626
CHELPG
AIM
ESP

	x	y	z
x	3.804	-0.518	0.000
y	-0.518	3.974	0.000
z	0.000	0.000	3.920

<r²>	71.339
(<r²>)^1/2	8.446

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

using model chemistry: HSEh1PBE/aug-cc-pV(T+d)Z

States and conformations

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