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	hartrees
Energy at 0K	-672.838768
Energy at 298.15K	-672.833791
HF Energy	-673.044121
Nuclear repulsion energy	189.486200

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1312	1260	144.35
2	A'	813	781	153.42
3	A'	494	475	24.98
4	A'	339	325	4.00
5	A"	765	735	174.28
6	A"	357	343	4.96

Atom	x (Å)	y (Å)	z (Å)
S1	0.249	0.365	0.000
O2	-1.060	0.979	0.000
F3	0.249	-0.760	1.177
F4	0.249	-0.760	-1.177

	S1	O2	F3	F4
S1		1.4462	1.6276	1.6276
O2	1.4462		2.4743	2.4743
F3	1.6276	2.4743		2.3533
F4	1.6276	2.4743	2.3533

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	107.416		O2	S1	F4	107.416
F3	S1	F4	93.688

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

using model chemistry: G3B3

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	1.087
2	O	-0.445
3	F	-0.321
4	F	-0.321

	x	y	z	Total
	1.693	0.560	0.000	1.783
CHELPG
AIM
ESP

<r²>	73.479
(<r²>)^1/2	8.572

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

using model chemistry: G3B3

States and conformations

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