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	hartrees
Energy at 0K	-671.266098
Energy at 298.15K	-671.269687
HF Energy	-671.266098
Nuclear repulsion energy	196.367733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1468	1334	261.39
2	A'	898	816	250.76
3	A'	597	542	50.35
4	A'	422	383	10.42
5	A"	835	758	260.96
6	A"	435	396	8.80

Atom	x (Å)	y (Å)	z (Å)
S1	0.243	0.355	0.000
O2	-1.031	0.935	0.000
F3	0.243	-0.731	1.133
F4	0.243	-0.731	-1.133

	S1	O2	F3	F4
S1		1.4001	1.5694	1.5694
O2	1.4001		2.3840	2.3840
F3	1.5694	2.3840		2.2659
F4	1.5694	2.3840	2.2659

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.667		O2	S1	F4	106.667
F3	S1	F4	92.421

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

using model chemistry: HF/6-311G**

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	1.365
2	O	-0.580
3	F	-0.393
4	F	-0.393

	x	y	z	Total
	2.203	0.782	0.000	2.337
CHELPG
AIM
ESP

	x	y	z
x	2.496	-0.615	0.000
y	-0.615	2.645	0.000
z	0.000	0.000	2.631

<r²>	70.153
(<r²>)^1/2	8.376

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

using model chemistry: HF/6-311G**

States and conformations

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