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	hartrees
Energy at 0K	-672.937772
Energy at 298.15K	-672.941147
HF Energy	-672.937772
Nuclear repulsion energy	192.882535

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1348	1296	134.55
2	A'	819	788	147.78
3	A'	521	501	20.17
4	A'	361	347	2.94
5	A"	768	738	168.83
6	A"	385	370	3.67

Atom	x (Å)	y (Å)	z (Å)
S1	0.247	0.357	0.000
O2	-1.051	0.952	0.000
F3	0.247	-0.740	1.158
F4	0.247	-0.740	-1.158

	S1	O2	F3	F4
S1		1.4276	1.5953	1.5953
O2	1.4276		2.4266	2.4266
F3	1.5953	2.4266		2.3168
F4	1.5953	2.4266	2.3168

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.650		O2	S1	F4	106.650
F3	S1	F4	93.128

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

using model chemistry: B3PW91/6-31G(2df,p)

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	0.430
2	O	-0.192
3	F	-0.119
4	F	-0.119

	x	y	z	Total
	1.508	0.211	0.000	1.523
CHELPG
AIM
ESP

	x	y	z
x	3.176	-0.530	0.000
y	-0.530	3.349	0.000
z	0.000	0.000	3.340

<r²>	71.172
(<r²>)^1/2	8.436

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

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

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