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	hartrees
Energy at 0K	-673.205420
Energy at 298.15K	-673.208850
HF Energy	-673.205420
Nuclear repulsion energy	194.495475

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1387	1328	164.00
2	A'	839	803	184.55
3	A'	536	513	24.02
4	A'	377	361	4.20
5	A"	773	740	211.52
6	A"	394	377	4.67

Atom	x (Å)	y (Å)	z (Å)
S1	0.245	0.357	0.000
O2	-1.043	0.941	0.000
F3	0.245	-0.735	1.147
F4	0.245	-0.735	-1.147

	S1	O2	F3	F4
S1		1.4151	1.5833	1.5833
O2	1.4151		2.4053	2.4053
F3	1.5833	2.4053		2.2931
F4	1.5833	2.4053	2.2931

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.550		O2	S1	F4	106.550
F3	S1	F4	92.794

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

using model chemistry: B1B95/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	0.782
2	O	-0.359
3	F	-0.212
4	F	-0.212

	x	y	z	Total
	1.602	0.363	0.000	1.643
CHELPG
AIM
ESP

	x	y	z
x	3.110	-0.557	0.000
y	-0.557	3.259	0.000
z	0.000	0.000	3.222

<r²>	70.549
(<r²>)^1/2	8.399

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

using model chemistry: B1B95/cc-pV(T+d)Z

States and conformations

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