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	hartrees
Energy at 0K	-748.318045
Energy at 298.15K
HF Energy	-748.318045
Nuclear repulsion energy	292.868049

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	1317	1317	172.11	16.04	0.10	0.19
2	A₁	885	885	121.63	13.02	0.00	0.00
3	A₁	559	559	32.17	2.24	0.72	0.83
4	A₁	386	386	0.03	0.89	0.75	0.86
5	A₂	384	384	0.00	1.36	0.75	0.86
6	B₁	913	913	242.74	2.11	0.75	0.86
7	B₁	550	550	26.56	1.68	0.75	0.86
8	B₂	1552	1552	301.58	2.77	0.75	0.86
9	B₂	547	547	33.10	1.63	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.164
O2	0.000	1.240	0.813
O3	0.000	-1.240	0.813
F4	1.134	0.000	-0.868
F5	-1.134	0.000	-0.868

	S1	O2	O3	F4	F5
S1		1.3992	1.3992	1.5338	1.5338
O2	1.3992		2.4801	2.3767	2.3767
O3	1.3992	2.4801		2.3767	2.3767
F4	1.5338	2.3767	2.3767		2.2675
F5	1.5338	2.3767	2.3767	2.2675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	124.817	O2	S1	F4	108.176
O2	S1	F5	108.176	O3	S1	F4	108.176
O3	S1	F5	108.176	F4	S1	F5	95.327

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

using model chemistry: M06-2X/6-311+G(3df,2p)

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	1.152
2	O	-0.413
3	O	-0.413
4	F	-0.163
5	F	-0.163

	x	y	z	Total
	0.000	0.000	-1.153	1.153
CHELPG
AIM
ESP

<r²>	93.360
(<r²>)^1/2	9.662

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

using model chemistry: M06-2X/6-311+G(3df,2p)

States and conformations

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