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	hartrees
Energy at 0K	-673.096600
Energy at 298.15K	-673.100030
HF Energy	-673.096600
Nuclear repulsion energy	193.556745

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1373	1312	177.41
2	A'	844	806	199.00
3	A'	536	512	28.48
4	A'	377	360	5.08
5	A"	775	740	217.15
6	A"	393	375	4.91

Atom	x (Å)	y (Å)	z (Å)
S1	0.248	0.362	0.000
O2	-1.054	0.939	0.000
F3	0.248	-0.740	1.148
F4	0.248	-0.740	-1.148

	S1	O2	F3	F4
S1		1.4241	1.5913	1.5913
O2	1.4241		2.4150	2.4150
F3	1.5913	2.4150		2.2963
F4	1.5913	2.4150	2.2963

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.299		O2	S1	F4	106.299
F3	S1	F4	92.362

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

using model chemistry: M06-2X/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	0.846
2	O	-0.381
3	F	-0.233
4	F	-0.233

	x	y	z	Total
	1.817	0.526	0.000	1.892
CHELPG
AIM
ESP

	x	y	z
x	3.135	-0.567	0.000
y	-0.567	3.254	0.000
z	0.000	0.000	3.203

<r²>	71.223
(<r²>)^1/2	8.439

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

using model chemistry: M06-2X/cc-pVTZ

States and conformations

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