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	hartrees
Energy at 0K	-672.809634
Energy at 298.15K	-672.812937
HF Energy	-672.809634
Nuclear repulsion energy	189.588213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1328	1275	178.25
2	A'	785	754	198.18
3	A'	499	479	29.12
4	A'	346	332	4.49
5	A"	724	695	228.45
6	A"	370	356	3.72

Atom	x (Å)	y (Å)	z (Å)
S1	0.251	0.370	0.000
O2	-1.066	0.958	0.000
F3	0.251	-0.754	1.181
F4	0.251	-0.754	-1.181

	S1	O2	F3	F4
S1		1.4418	1.6300	1.6300
O2	1.4418		2.4612	2.4612
F3	1.6300	2.4612		2.3616
F4	1.6300	2.4612	2.3616

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.335		O2	S1	F4	106.335
F3	S1	F4	92.838

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

using model chemistry: HSEh1PBE/TZVP

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	0.844
2	O	-0.343
3	F	-0.250
4	F	-0.250

	x	y	z	Total
	1.768	0.905	0.000	1.986
CHELPG
AIM
ESP

	x	y	z
x	3.160	-0.744	0.000
y	-0.744	3.338	0.000
z	0.000	0.000	3.245

<r²>	73.905
(<r²>)^1/2	8.597

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

using model chemistry: HSEh1PBE/TZVP

States and conformations

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