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	hartrees
Energy at 0K	-672.714784
Energy at 298.15K	-672.717801
HF Energy	-672.714784
Nuclear repulsion energy	178.030813

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1064	1064	89.09
2	A'	768	768	99.18
3	A'	414	414	40.15
4	A'	274	274	6.08
5	A"	735	735	111.50
6	A"	291	291	8.64

Atom	x (Å)	y (Å)	z (Å)
S1	0.275	0.403	0.000
O2	-1.168	1.002	0.000
F3	0.275	-0.803	1.236
F4	0.275	-0.803	-1.236

	S1	O2	F3	F4
S1		1.5622	1.7268	1.7268
O2	1.5622		2.6207	2.6207
F3	1.7268	2.6207		2.4719
F4	1.7268	2.6207	2.4719

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	105.545		O2	S1	F4	105.545
F3	S1	F4	91.404

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

using model chemistry: M06-2X/6-31G

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	1.328
2	O	-0.560
3	F	-0.384
4	F	-0.384

	x	y	z	Total
	2.460	1.559	0.000	2.913
CHELPG
AIM
ESP

	x	y	z
x	3.003	-1.151	0.000
y	-1.151	3.331	0.000
z	0.000	0.000	3.264

<r²>	81.654
(<r²>)^1/2	9.036

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

using model chemistry: M06-2X/6-31G

States and conformations

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