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	hartrees
Energy at 0K	-673.086457
Energy at 298.15K	-673.089781
HF Energy	-673.086457
Nuclear repulsion energy	190.107716

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1358	1297	190.95
2	A'	788	753	208.98
3	A'	507	484	30.81
4	A'	351	336	4.60
5	A"	722	689	239.15
6	A"	377	360	3.72

Atom	x (Å)	y (Å)	z (Å)
S1	0.248	0.357	0.000
O2	-1.055	0.948	0.000
F3	0.248	-0.739	1.170
F4	0.248	-0.739	-1.170

	S1	O2	F3	F4
S1		1.4307	1.6033	1.6033
O2	1.4307		2.4316	2.4316
F3	1.6033	2.4316		2.3396
F4	1.6033	2.4316	2.3396

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.395		O2	S1	F4	106.395
F3	S1	F4	93.709

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

using model chemistry: wB97X-D/TZVP

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	0.870
2	O	-0.357
3	F	-0.256
4	F	-0.256

	x	y	z	Total
	1.812	0.899	0.000	2.023
CHELPG
AIM
ESP

	x	y	z
x	3.140	-0.742	0.000
y	-0.742	3.311	0.000
z	0.000	0.000	3.227

<r²>	73.558
(<r²>)^1/2	8.577

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

using model chemistry: wB97X-D/TZVP

States and conformations

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