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	hartrees
Energy at 0K	-671.364458
Energy at 298.15K	-671.368089
HF Energy	-671.364458
Nuclear repulsion energy	198.192190

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1466	1326	237.05
2	A'	932	843	219.20
3	A'	611	553	38.95
4	A'	434	392	7.01
5	A"	870	787	243.56
6	A"	449	406	8.07

Atom	x (Å)	y (Å)	z (Å)
S1	0.244	0.348	0.000
O2	-1.035	0.919	0.000
F3	0.244	-0.717	1.123
F4	0.244	-0.717	-1.123

	S1	O2	F3	F4
S1		1.4008	1.5476	1.5476
O2	1.4008		2.3611	2.3611
F3	1.5476	2.3611		2.2456
F4	1.5476	2.3611	2.2456

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.306		O2	S1	F4	106.306
F3	S1	F4	93.021

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

using model chemistry: HF/daug-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	2.263
2	O	-0.942
3	F	-0.660
4	F	-0.660

	x	y	z	Total
	2.004	0.191	0.000	2.013
CHELPG
AIM
ESP

	x	y	z
x	3.387	-0.426	0.000
y	-0.426	3.473	0.000
z	0.000	0.000	3.465

<r²>	68.872
(<r²>)^1/2	8.299

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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