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	hartrees
Energy at 0K	-673.044319
Energy at 298.15K	-673.047630
HF Energy	-673.044319
Nuclear repulsion energy	188.921262

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1322	1271	156.79
2	A'	815	783	167.01
3	A'	494	475	28.36
4	A'	339	326	4.88
5	A"	765	735	192.11
6	A"	365	351	5.18

Atom	x (Å)	y (Å)	z (Å)
S1	0.251	0.371	0.000
O2	-1.067	0.968	0.000
F3	0.251	-0.760	1.182
F4	0.251	-0.760	-1.182

	S1	O2	F3	F4
S1		1.4471	1.6356	1.6356
O2	1.4471		2.4736	2.4736
F3	1.6356	2.4736		2.3642
F4	1.6356	2.4736	2.3642

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.563		O2	S1	F4	106.563
F3	S1	F4	92.563

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

using model chemistry: B1B95/cc-pVDZ

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	0.966
2	O	-0.367
3	F	-0.299
4	F	-0.299

	x	y	z	Total
	1.689	0.893	0.000	1.911
CHELPG
AIM
ESP

	x	y	z
x	2.675	-0.694	0.000
y	-0.694	2.933	0.000
z	0.000	0.000	2.890

<r²>	73.805
(<r²>)^1/2	8.591

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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