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	hartrees
Energy at 0K	-1794.420956
Energy at 298.15K
HF Energy	-1794.420956
Nuclear repulsion energy	1447.559826

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	912	873	0.00
2	A₁	673	644	0.00
3	A₁	607	581	0.00
4	A₁	257	246	0.00
5	B₁	91	87	0.00
6	B₂	821	786	610.05
7	B₂	652	624	3.24
8	B₂	509	488	250.40
9	E₁	947	907	628.23
9	E₁	947	907	628.23
10	E₁	524	502	16.33
10	E₁	524	502	16.33
11	E₁	386	370	1.29
11	E₁	386	370	1.29
12	E₁	185	178	0.27
12	E₁	185	178	0.27
13	E₂	626	599	0.00
13	E₂	626	599	0.00
14	E₂	456	437	0.00
14	E₂	456	437	0.00
15	E₂	327	313	0.00
15	E₂	327	313	0.00
16	E₃	879	841	0.00
16	E₃	879	841	0.00
17	E₃	533	511	0.00
17	E₃	533	511	0.00
18	E₃	387	370	0.00
18	E₃	387	370	0.00
19	E₃	233	223	0.00
19	E₃	233	223	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.159
S2	0.000	0.000	-1.159
F3	0.000	1.617	1.164
F4	-1.617	0.000	1.164
F5	0.000	-1.617	1.164
F6	1.617	0.000	1.164
F7	0.000	0.000	2.762
F8	1.144	1.144	-1.164
F9	1.144	-1.144	-1.164
F10	-1.144	-1.144	-1.164
F11	-1.144	1.144	-1.164
F12	0.000	0.000	-2.762

	S1	S2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
S1		2.3171	1.6172	1.6172	1.6172	1.6172	1.6034	2.8304	2.8304	2.8304	2.8304	3.9205
S2	2.3171		2.8304	2.8304	2.8304	2.8304	3.9205	1.6172	1.6172	1.6172	1.6172	1.6034
F3	1.6172	2.8304		2.2871	3.2344	2.2871	2.2733	2.6371	3.7884	3.7884	2.6371	4.2463
F4	1.6172	2.8304	2.2871		2.2871	3.2344	2.2733	3.7884	3.7884	2.6371	2.6371	4.2463
F5	1.6172	2.8304	3.2344	2.2871		2.2871	2.2733	3.7884	2.6371	2.6371	3.7884	4.2463
F6	1.6172	2.8304	2.2871	3.2344	2.2871		2.2733	2.6371	2.6371	3.7884	3.7884	4.2463
F7	1.6034	3.9205	2.2733	2.2733	2.2733	2.2733		4.2463	4.2463	4.2463	4.2463	5.5239
F8	2.8304	1.6172	2.6371	3.7884	3.7884	2.6371	4.2463		2.2871	3.2344	2.2871	2.2733
F9	2.8304	1.6172	3.7884	3.7884	2.6371	2.6371	4.2463	2.2871		2.2871	3.2344	2.2733
F10	2.8304	1.6172	3.7884	2.6371	2.6371	3.7884	4.2463	3.2344	2.2871		2.2871	2.2733
F11	2.8304	1.6172	2.6371	2.6371	3.7884	3.7884	4.2463	2.2871	3.2344	2.2871		2.2733
F12	3.9205	1.6034	4.2463	4.2463	4.2463	4.2463	5.5239	2.2733	2.2733	2.2733	2.2733

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	F8	90.204	S1	S2	F9	90.204
S1	S2	F10	90.204	S1	S2	F11	90.204
S1	S2	F12	180.000	S2	S1	F3	90.204
S2	S1	F4	90.204	S2	S1	F5	90.204
S2	S1	F6	90.204	S2	S1	F7	180.000
F3	S1	F4	89.999	F3	S1	F5	179.593
F3	S1	F6	89.999	F3	S1	F7	89.796
F4	S1	F5	89.999	F4	S1	F6	179.593
F4	S1	F7	89.796	F5	S1	F6	89.999
F5	S1	F7	89.796	F6	S1	F7	89.796
F8	S2	F9	89.999	F8	S2	F10	179.593
F8	S2	F11	89.999	F8	S2	F12	89.796
F9	S2	F10	89.999	F9	S2	F11	179.593
F9	S2	F12	89.796	F10	S2	F11	89.999
F10	S2	F12	89.796	F11	S2	F12	89.796

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

using model chemistry: wB97X-D/aug-cc-pVDZ

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	2.431
2	S	2.431
3	F	-0.487
4	F	-0.487
5	F	-0.487
6	F	-0.487
7	F	-0.484
8	F	-0.487
9	F	-0.487
10	F	-0.487
11	F	-0.487
12	F	-0.484

<r²>	514.250
(<r²>)^1/2	22.677

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

using model chemistry: wB97X-D/aug-cc-pVDZ

States and conformations

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