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	hartrees
Energy at 0K	-672.767721
Energy at 298.15K	-672.771036
HF Energy	-672.767721
Nuclear repulsion energy	189.838200

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1332	1278	178.56
2	A'	790	758	198.38
3	A'	502	481	29.20
4	A'	349	335	4.57
5	A"	729	700	228.39
6	A"	372	357	3.85

Atom	x (Å)	y (Å)	z (Å)
S1	0.251	0.369	0.000
O2	-1.065	0.957	0.000
F3	0.251	-0.753	1.179
F4	0.251	-0.753	-1.179

	S1	O2	F3	F4
S1		1.4413	1.6271	1.6271
O2	1.4413		2.4585	2.4585
F3	1.6271	2.4585		2.3572
F4	1.6271	2.4585	2.3572

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.335		O2	S1	F4	106.335
F3	S1	F4	92.831

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

using model chemistry: PBE1PBE/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	0.834
2	O	-0.342
3	F	-0.246
4	F	-0.246

	x	y	z	Total
	1.768	0.873	0.000	1.972
CHELPG
AIM
ESP

	x	y	z
x	3.153	-0.741	0.000
y	-0.741	3.320	0.000
z	0.000	0.000	3.228

<r²>	73.732
(<r²>)^1/2	8.587

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

using model chemistry: PBE1PBE/TZVP

States and conformations

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