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	hartrees
Energy at 0K	-1784.345219
Energy at 298.15K
HF Energy	-1784.345219
Nuclear repulsion energy	1490.794588

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1024	984	0.00
2	A₁	751	721	0.00
3	A₁	636	611	0.00
4	A₁	275	264	0.00
5	B₁	117	113	0.00
6	B₂	936	899	566.39
7	B₂	727	698	0.00
8	B₂	564	542	263.68
9	E₁	1073	1030	572.16
9	E₁	1073	1030	572.16
10	E₁	545	523	34.09
10	E₁	545	523	34.09
11	E₁	400	384	5.91
11	E₁	400	384	5.91
12	E₁	185	178	0.95
12	E₁	185	178	0.95
13	E₂	711	683	0.00
13	E₂	711	683	0.00
14	E₂	476	458	0.00
14	E₂	476	458	0.00
15	E₂	336	323	0.00
15	E₂	336	323	0.00
16	E₃	1000	960	0.00
16	E₃	1000	960	0.00
17	E₃	547	526	0.00
17	E₃	547	526	0.00
18	E₃	405	389	0.00
18	E₃	405	389	0.00
19	E₃	250	240	0.00
19	E₃	250	240	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.091
S2	0.000	0.000	-1.091
F3	0.000	1.588	1.099
F4	-1.588	0.000	1.099
F5	0.000	-1.588	1.099
F6	1.588	0.000	1.099
F7	0.000	0.000	2.667
F8	1.123	1.123	-1.099
F9	1.123	-1.123	-1.099
F10	-1.123	-1.123	-1.099
F11	-1.123	1.123	-1.099
F12	0.000	0.000	-2.667

	S1	S2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
S1		2.1818	1.5882	1.5882	1.5882	1.5882	1.5765	2.7050	2.7050	2.7050	2.7050	3.7583
S2	2.1818		2.7050	2.7050	2.7050	2.7050	3.7583	1.5882	1.5882	1.5882	1.5882	1.5765
F3	1.5882	2.7050		2.2460	3.1763	2.2460	2.2322	2.5113	3.6662	3.6662	2.5113	4.0874
F4	1.5882	2.7050	2.2460		2.2460	3.1763	2.2322	3.6662	3.6662	2.5113	2.5113	4.0874
F5	1.5882	2.7050	3.1763	2.2460		2.2460	2.2322	3.6662	2.5113	2.5113	3.6662	4.0874
F6	1.5882	2.7050	2.2460	3.1763	2.2460		2.2322	2.5113	2.5113	3.6662	3.6662	4.0874
F7	1.5765	3.7583	2.2322	2.2322	2.2322	2.2322		4.0874	4.0874	4.0874	4.0874	5.3348
F8	2.7050	1.5882	2.5113	3.6662	3.6662	2.5113	4.0874		2.2460	3.1763	2.2460	2.2322
F9	2.7050	1.5882	3.6662	3.6662	2.5113	2.5113	4.0874	2.2460		2.2460	3.1763	2.2322
F10	2.7050	1.5882	3.6662	2.5113	2.5113	3.6662	4.0874	3.1763	2.2460		2.2460	2.2322
F11	2.7050	1.5882	2.5113	2.5113	3.6662	3.6662	4.0874	2.2460	3.1763	2.2460		2.2322
F12	3.7583	1.5765	4.0874	4.0874	4.0874	4.0874	5.3348	2.2322	2.2322	2.2322	2.2322

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	F8	90.284	S1	S2	F9	90.284
S1	S2	F10	90.284	S1	S2	F11	90.284
S1	S2	F12	180.000	S2	S1	F3	90.284
S2	S1	F4	90.284	S2	S1	F5	90.284
S2	S1	F6	90.284	S2	S1	F7	180.000
F3	S1	F4	89.999	F3	S1	F5	179.432
F3	S1	F6	89.999	F3	S1	F7	89.716
F4	S1	F5	89.999	F4	S1	F6	179.432
F4	S1	F7	89.716	F5	S1	F6	89.999
F5	S1	F7	89.716	F6	S1	F7	89.716
F8	S2	F9	89.999	F8	S2	F10	179.432
F8	S2	F11	89.999	F8	S2	F12	89.716
F9	S2	F10	89.999	F9	S2	F11	179.432
F9	S2	F12	89.716	F10	S2	F11	89.999
F10	S2	F12	89.716	F11	S2	F12	89.716

All results from a given calculation for S₂F₁₀ (disulphur decafluoride)

using model chemistry: PBE1PBE/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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	S	1.461
2	S	1.461
3	F	-0.296
4	F	-0.296
5	F	-0.296
6	F	-0.296
7	F	-0.277
8	F	-0.296
9	F	-0.296
10	F	-0.296
11	F	-0.296
12	F	-0.277

<r²>	481.737
(<r²>)^1/2	21.949

All results from a given calculation for S2F10 (disulphur decafluoride)

using model chemistry: PBE1PBE/3-21G

States and conformations

All results from a given calculation for S₂F₁₀ (disulphur decafluoride)