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	hartrees
Energy at 0K	-673.235841
Energy at 298.15K	-673.239195
HF Energy	-673.235841
Nuclear repulsion energy	192.330282

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1348	1348	156.07
2	A'	793	793	179.83
3	A'	516	516	22.82
4	A'	360	360	3.52
5	A"	725	725	207.49
6	A"	384	384	3.50

Atom	x (Å)	y (Å)	z (Å)
S1	0.246	0.360	0.000
O2	-1.047	0.953	0.000
F3	0.246	-0.744	1.164
F4	0.246	-0.744	-1.164

	S1	O2	F3	F4
S1		1.4231	1.6046	1.6046
O2	1.4231		2.4310	2.4310
F3	1.6046	2.4310		2.3287
F4	1.6046	2.4310	2.3287

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.670		O2	S1	F4	106.670
F3	S1	F4	93.048

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

using model chemistry: B3LYPultrafine/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	0.841
2	O	-0.369
3	F	-0.236
4	F	-0.236

	x	y	z	Total
	1.601	0.473	0.000	1.670
CHELPG
AIM
ESP

	x	y	z
x	3.151	-0.581	0.000
y	-0.581	3.351	0.000
z	0.000	0.000	3.311

<r²>	72.000
(<r²>)^1/2	8.485

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

using model chemistry: B3LYPultrafine/cc-pV(T+d)Z

States and conformations

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