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	hartrees
Energy at 0K	-672.805638
Energy at 298.15K	-672.808889
HF Energy	-672.805638
Nuclear repulsion energy	189.828142

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1293	1283	131.15
2	A'	760	755	155.42
3	A'	484	480	18.27
4	A'	333	331	2.37
5	A"	698	692	189.50
6	A"	363	360	2.60

Atom	x (Å)	y (Å)	z (Å)
S1	0.249	0.363	0.000
O2	-1.057	0.967	0.000
F3	0.249	-0.752	1.184
F4	0.249	-0.752	-1.184

	S1	O2	F3	F4
S1		1.4389	1.6265	1.6265
O2	1.4389		2.4623	2.4623
F3	1.6265	2.4623		2.3674
F4	1.6265	2.4623	2.3674

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.723		O2	S1	F4	106.723
F3	S1	F4	93.394

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

using model chemistry: PBEPBE/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	0.729
2	O	-0.320
3	F	-0.205
4	F	-0.205

	x	y	z	Total
	1.427	0.468	0.000	1.502
CHELPG
AIM
ESP

	x	y	z
x	3.289	-0.623	0.000
y	-0.623	3.529	0.000
z	0.000	0.000	3.485

<r²>	73.428
(<r²>)^1/2	8.569

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

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

States and conformations

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