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	hartrees
Energy at 0K	-1794.984437
Energy at 298.15K
HF Energy	-1794.984437
Nuclear repulsion energy	1430.924420

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	854	822	0.00
2	A₁	619	596	0.00
3	A₁	576	555	0.00
4	A₁	205	197	0.00
5	B₁	81	78	0.00
6	B₂	774	745	679.96
7	B₂	610	587	8.40
8	B₂	489	471	274.62
9	E₁	878	846	685.28
9	E₁	878	846	685.28
10	E₁	516	498	13.70
10	E₁	516	498	13.70
11	E₁	373	360	1.22
11	E₁	373	360	1.22
12	E₁	157	151	0.33
12	E₁	157	151	0.33
13	E₂	576	555	0.00
13	E₂	576	555	0.00
14	E₂	456	439	0.00
14	E₂	456	439	0.00
15	E₂	301	290	0.00
15	E₂	301	290	0.00
16	E₃	807	778	0.00
16	E₃	807	778	0.00
17	E₃	524	505	0.00
17	E₃	524	505	0.00
18	E₃	382	368	0.00
18	E₃	382	368	0.00
19	E₃	218	210	0.00
19	E₃	218	210	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.196
S2	0.000	0.000	-1.196
F3	0.000	1.626	1.197
F4	-1.626	0.000	1.197
F5	0.000	-1.626	1.197
F6	1.626	0.000	1.197
F7	0.000	0.000	2.800
F8	1.150	1.150	-1.197
F9	1.150	-1.150	-1.197
F10	-1.150	-1.150	-1.197
F11	-1.150	1.150	-1.197
F12	0.000	0.000	-2.800

	S1	S2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
S1		2.3925	1.6260	1.6260	1.6260	1.6260	1.6034	2.8934	2.8934	2.8934	2.8934	3.9959
S2	2.3925		2.8934	2.8934	2.8934	2.8934	3.9959	1.6260	1.6260	1.6260	1.6260	1.6034
F3	1.6260	2.8934		2.2995	3.2520	2.2995	2.2830	2.6983	3.8418	3.8418	2.6983	4.3148
F4	1.6260	2.8934	2.2995		2.2995	3.2520	2.2830	3.8418	3.8418	2.6983	2.6983	4.3148
F5	1.6260	2.8934	3.2520	2.2995		2.2995	2.2830	3.8418	2.6983	2.6983	3.8418	4.3148
F6	1.6260	2.8934	2.2995	3.2520	2.2995		2.2830	2.6983	2.6983	3.8418	3.8418	4.3148
F7	1.6034	3.9959	2.2830	2.2830	2.2830	2.2830		4.3148	4.3148	4.3148	4.3148	5.5993
F8	2.8934	1.6260	2.6983	3.8418	3.8418	2.6983	4.3148		2.2995	3.2520	2.2995	2.2830
F9	2.8934	1.6260	3.8418	3.8418	2.6983	2.6983	4.3148	2.2995		2.2995	3.2520	2.2830
F10	2.8934	1.6260	3.8418	2.6983	2.6983	3.8418	4.3148	3.2520	2.2995		2.2995	2.2830
F11	2.8934	1.6260	2.6983	2.6983	3.8418	3.8418	4.3148	2.2995	3.2520	2.2995		2.2830
F12	3.9959	1.6034	4.3148	4.3148	4.3148	4.3148	5.5993	2.2830	2.2830	2.2830	2.2830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	F8	90.030	S1	S2	F9	90.030
S1	S2	F10	90.030	S1	S2	F11	90.030
S1	S2	F12	180.000	S2	S1	F3	90.030
S2	S1	F4	90.030	S2	S1	F5	90.030
S2	S1	F6	90.030	S2	S1	F7	180.000
F3	S1	F4	90.000	F3	S1	F5	179.939
F3	S1	F6	90.000	F3	S1	F7	89.970
F4	S1	F5	90.000	F4	S1	F6	179.939
F4	S1	F7	89.970	F5	S1	F6	90.000
F5	S1	F7	89.970	F6	S1	F7	89.970
F8	S2	F9	90.000	F8	S2	F10	179.939
F8	S2	F11	90.000	F8	S2	F12	89.970
F9	S2	F10	90.000	F9	S2	F11	179.939
F9	S2	F12	89.970	F10	S2	F11	90.000
F10	S2	F12	89.970	F11	S2	F12	89.970

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

using model chemistry: B3LYPultrafine/TZVP

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	0.946
2	S	0.946
3	F	-0.191
4	F	-0.191
5	F	-0.191
6	F	-0.191
7	F	-0.184
8	F	-0.191
9	F	-0.191
10	F	-0.191
11	F	-0.191
12	F	-0.184

<r²>	529.583
(<r²>)^1/2	23.013

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

using model chemistry: B3LYPultrafine/TZVP

States and conformations

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