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	hartrees
Energy at 0K	-669.692050
Energy at 298.15K	-669.695447
HF Energy	-669.692050
Nuclear repulsion energy	192.066319

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1356	1295	129.28
2	A'	886	846	134.71
3	A'	515	492	32.81
4	A'	353	337	5.72
5	A"	852	814	148.55
6	A"	378	361	8.34

Atom	x (Å)	y (Å)	z (Å)
S1	0.249	0.361	0.000
O2	-1.057	0.965	0.000
F3	0.249	-0.750	1.153
F4	0.249	-0.750	-1.153

	S1	O2	F3	F4
S1		1.4388	1.6006	1.6006
O2	1.4388		2.4440	2.4440
F3	1.6006	2.4440		2.3052
F4	1.6006	2.4440	2.3052

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.928		O2	S1	F4	106.928
F3	S1	F4	92.125

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

using model chemistry: B1B95/3-21G*

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	1.033
2	O	-0.425
3	F	-0.304
4	F	-0.304

	x	y	z	Total
	1.759	0.526	0.000	1.836
CHELPG
AIM
ESP

	x	y	z
x	2.304	-0.651	0.000
y	-0.651	2.479	0.000
z	0.000	0.000	2.447

<r²>	71.728
(<r²>)^1/2	8.469

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

using model chemistry: B1B95/3-21G*

States and conformations

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