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	hartrees
Energy at 0K	-672.994291
Energy at 298.15K	-672.997554
HF Energy	-672.994291
Nuclear repulsion energy	189.618616

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1333	1284	162.18
2	A'	768	739	180.44
3	A'	495	477	29.11
4	A'	337	324	4.77
5	A"	706	679	202.54
6	A"	365	351	4.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.248	0.368	0.000
O2	-1.053	0.971	0.000
F3	0.248	-0.759	1.182
F4	0.248	-0.759	-1.182

	S1	O2	F3	F4
S1		1.4335	1.6329	1.6329
O2	1.4335		2.4661	2.4661
F3	1.6329	2.4661		2.3633
F4	1.6329	2.4661	2.3633

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.888		O2	S1	F4	106.888
F3	S1	F4	92.709

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

using model chemistry: B3PW91/6-311G*

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	1.081
2	O	-0.429
3	F	-0.326
4	F	-0.326

	x	y	z	Total
	1.721	0.989	0.000	1.985
CHELPG
AIM
ESP

	x	y	z
x	2.824	-0.736	0.000
y	-0.736	3.099	0.000
z	0.000	0.000	3.017

<r²>	73.890
(<r²>)^1/2	8.596

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

using model chemistry: B3PW91/6-311G*

States and conformations

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