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	hartrees
Energy at 0K	-673.168614
Energy at 298.15K	-673.172036
HF Energy	-673.168614
Nuclear repulsion energy	194.016292

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1379	1321	163.92
2	A'	829	794	183.54
3	A'	535	512	23.64
4	A'	375	359	3.90
5	A"	764	732	211.20
6	A"	395	379	4.27

Atom	x (Å)	y (Å)	z (Å)
S1	0.246	0.356	0.000
O2	-1.044	0.945	0.000
F3	0.246	-0.736	1.152
F4	0.246	-0.736	-1.152

	S1	O2	F3	F4
S1		1.4174	1.5872	1.5872
O2	1.4174		2.4113	2.4113
F3	1.5872	2.4113		2.3035
F4	1.5872	2.4113	2.3035

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.607		O2	S1	F4	106.607
F3	S1	F4	93.043

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

using model chemistry: mPW1PW91/cc-pV(T+d)Z

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	0.802
2	O	-0.365
3	F	-0.218
4	F	-0.218

	x	y	z	Total
	1.587	0.335	0.000	1.622
CHELPG
AIM
ESP

	x	y	z
x	3.121	-0.560	0.000
y	-0.560	3.280	0.000
z	0.000	0.000	3.245

<r²>	70.872
(<r²>)^1/2	8.419

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

using model chemistry: mPW1PW91/cc-pV(T+d)Z

States and conformations

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