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	hartrees
Energy at 0K	-746.282540
Energy at 298.15K	-746.285816
HF Energy	-746.282540
Nuclear repulsion energy	298.961457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1416	1284	228.33
2	A₁	997	904	135.00
3	A₁	629	570	49.82
4	A₁	435	395	0.09
5	A₂	432	392	0.00
6	B₁	1027	931	297.78
7	B₁	621	562	44.48
8	B₂	1651	1496	413.74
9	B₂	615	557	46.65

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.157
O2	0.000	1.222	0.802
O3	0.000	-1.222	0.802
F4	1.116	0.000	-0.853
F5	-1.116	0.000	-0.853

	S1	O2	O3	F4	F5
S1		1.3817	1.3817	1.5055	1.5055
O2	1.3817		2.4441	2.3407	2.3407
O3	1.3817	2.4441		2.3407	2.3407
F4	1.5055	2.3407	2.3407		2.2323
F5	1.5055	2.3407	2.3407	2.2323

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	124.367	O2	S1	F4	108.250
O2	S1	F5	108.250	O3	S1	F4	108.250
O3	S1	F5	108.250	F4	S1	F5	95.694

All results from a given calculation for SO₂F₂ (Sulfuryl fluoride)

using model chemistry: HF/Def2TZVPP

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	1.451
2	O	-0.495
3	O	-0.495
4	F	-0.231
5	F	-0.231

	x	y	z	Total
	0.000	0.000	-1.500	1.500
CHELPG
AIM
ESP

<r²>	90.372
(<r²>)^1/2	9.506

All results from a given calculation for SO2F2 (Sulfuryl fluoride)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for SO₂F₂ (Sulfuryl fluoride)