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	hartrees
Energy at 0K	-73.302758
Energy at 298.15K	-73.306304
HF Energy	-73.302758
Nuclear repulsion energy	71.378140

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1427	1289	262.30
2	A'	897	810	244.17
3	A'	578	522	42.55
4	A'	413	373	8.07
5	A"	836	756	267.04
6	A"	422	381	7.33

Atom	x (Å)	y (Å)	z (Å)
S1	0.247	0.359	0.000
O2	-1.049	0.938	0.000
F3	0.247	-0.735	1.142
F4	0.247	-0.735	-1.142

	S1	O2	F3	F4
S1		1.4195	1.5811	1.5811
O2	1.4195		2.4045	2.4045
F3	1.5811	2.4045		2.2831
F4	1.5811	2.4045	2.2831

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.393		O2	S1	F4	106.393
F3	S1	F4	92.438

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

using model chemistry: HF/CEP-121G*

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	1.104
2	O	-0.470
3	F	-0.317
4	F	-0.317

	x	y	z	Total
	2.139	0.603	0.000	2.222
CHELPG
AIM
ESP

	x	y	z
x	2.883	-0.588	0.000
y	-0.588	3.011	0.000
z	0.000	0.000	2.990

<r²>	57.018
(<r²>)^1/2	7.551

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

using model chemistry: HF/CEP-121G*

States and conformations

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