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	hartrees
Energy at 0K	-664.564883
Energy at 298.15K	-664.567645
HF Energy	-664.564883
Nuclear repulsion energy	175.858331

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1064	949	23.45
2	A'	765	683	26.05
3	A'	380	339	15.36
4	A'	260	232	2.07
5	A"	701	625	43.07
6	A"	291	260	4.17

Atom	x (Å)	y (Å)	z (Å)
S1	0.290	0.443	0.000
O2	-1.231	0.916	0.000
F3	0.290	-0.801	1.240
F4	0.290	-0.801	-1.240

	S1	O2	F3	F4
S1		1.5920	1.7560	1.7560
O2	1.5920		2.6066	2.6066
F3	1.7560	2.6066		2.4793
F4	1.7560	2.6066	2.4793

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	102.145		O2	S1	F4	102.145
F3	S1	F4	89.814

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

using model chemistry: B3LYP/STO-3G

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	0.634
2	O	-0.324
3	F	-0.155
4	F	-0.155

	x	y	z	Total
	1.660	0.505	0.000	1.735
CHELPG
AIM
ESP

	x	y	z
x	1.714	-0.883	0.000
y	-0.883	1.949	0.000
z	0.000	0.000	2.122

<r²>	79.299
(<r²>)^1/2	8.905

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

using model chemistry: B3LYP/STO-3G

States and conformations

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