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	hartrees
Energy at 0K	-667.651000
Energy at 298.15K	-667.654355
HF Energy	-667.651000
Nuclear repulsion energy	186.085626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1121	1015	76.07
2	A'	920	833	102.71
3	A'	484	438	66.20
4	A'	352	319	11.21
5	A"	909	823	121.76
6	A"	353	320	16.57

Atom	x (Å)	y (Å)	z (Å)
S1	0.268	0.373	0.000
O2	-1.139	0.972	0.000
F3	0.268	-0.763	1.174
F4	0.268	-0.763	-1.174

	S1	O2	F3	F4
S1		1.5289	1.6331	1.6331
O2	1.5289		2.5230	2.5230
F3	1.6331	2.5230		2.3472
F4	1.6331	2.5230	2.3472

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	105.810		O2	S1	F4	105.810
F3	S1	F4	91.878

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

using model chemistry: HF/3-21G

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	1.623
2	O	-0.729
3	F	-0.447
4	F	-0.447

	x	y	z	Total
	2.988	1.085	0.000	3.179
CHELPG
AIM
ESP

	x	y	z
x	2.370	-0.940	0.000
y	-0.940	2.506	0.000
z	0.000	0.000	2.549

<r²>	76.031
(<r²>)^1/2	8.720

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

using model chemistry: HF/3-21G

States and conformations

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