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	hartrees
Energy at 0K	-673.088597
Energy at 298.15K	-673.092134
HF Energy	-673.088597
Nuclear repulsion energy	192.988786

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1353	1353	162.30
2	A'	802	802	177.17
3	A'	522	522	21.80
4	A'	365	365	3.41
5	A"	736	736	209.26
6	A"	387	387	3.48

Atom	x (Å)	y (Å)	z (Å)
S1	0.246	0.358	0.000
O2	-1.047	0.949	0.000
F3	0.246	-0.741	1.159
F4	0.246	-0.741	-1.159

	S1	O2	F3	F4
S1		1.4216	1.5974	1.5974
O2	1.4216		2.4232	2.4232
F3	1.5974	2.4232		2.3186
F4	1.5974	2.4232	2.3186

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.622		O2	S1	F4	106.622
F3	S1	F4	93.064

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

using model chemistry: B3PW91/aug-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	1.373
2	O	-0.596
3	F	-0.389
4	F	-0.389

	x	y	z	Total
	1.562	0.410	0.000	1.615
CHELPG
AIM
ESP

	x	y	z
x	3.823	-0.532	0.000
y	-0.532	4.011	0.000
z	0.000	0.000	3.955

<r²>	71.702
(<r²>)^1/2	8.468

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

using model chemistry: B3PW91/aug-cc-pV(T+d)Z

States and conformations

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