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	hartrees
Energy at 0K	-672.929435
Energy at 298.15K	-672.932808
HF Energy	-672.929435
Nuclear repulsion energy	191.259722

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1359	1294	198.56
2	A'	831	791	211.81
3	A'	522	497	32.35
4	A'	364	347	5.96
5	A"	765	729	234.09
6	A"	378	360	5.64

Atom	x (Å)	y (Å)	z (Å)
S1	0.249	0.369	0.000
O2	-1.058	0.958	0.000
F3	0.249	-0.754	1.160
F4	0.249	-0.754	-1.160

	S1	O2	F3	F4
S1		1.4334	1.6148	1.6148
O2	1.4334		2.4464	2.4464
F3	1.6148	2.4464		2.3201
F4	1.6148	2.4464	2.3201

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.602		O2	S1	F4	106.602
F3	S1	F4	91.845

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

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

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	1.309
2	O	-0.546
3	F	-0.381
4	F	-0.381

	x	y	z	Total
	1.883	0.863	0.000	2.071
CHELPG
AIM
ESP

	x	y	z
x	3.473	-0.689	0.000
y	-0.689	3.604	0.000
z	0.000	0.000	3.478

<r²>	72.925
(<r²>)^1/2	8.540

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

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

States and conformations

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