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	hartrees
Energy at 0K	-1793.854039
Energy at 298.15K
HF Energy	-1793.854039
Nuclear repulsion energy	1469.932577

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	929	892	0.00
2	A₁	693	666	0.00
3	A₁	627	603	0.00
4	A₁	237	228	0.00
5	B₁	96	92	0.00
6	B₂	835	802	637.22
7	B₂	677	651	17.57
8	B₂	534	513	239.86
9	E₁	952	915	665.08
9	E₁	952	915	665.08
10	E₁	556	535	16.85
10	E₁	556	535	16.85
11	E₁	402	387	1.74
11	E₁	402	387	1.74
12	E₁	176	169	0.29
12	E₁	176	169	0.29
13	E₂	629	605	0.00
13	E₂	629	605	0.00
14	E₂	489	470	0.00
14	E₂	489	470	0.00
15	E₂	332	319	0.00
15	E₂	332	319	0.00
16	E₃	876	842	0.00
16	E₃	876	842	0.00
17	E₃	566	544	0.00
17	E₃	566	544	0.00
18	E₃	413	397	0.00
18	E₃	413	397	0.00
19	E₃	246	236	0.00
19	E₃	246	236	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.149
S2	0.000	0.000	-1.149
F3	0.000	1.589	1.155
F4	-1.589	0.000	1.155
F5	0.000	-1.589	1.155
F6	1.589	0.000	1.155
F7	0.000	0.000	2.720
F8	1.124	1.124	-1.155
F9	1.124	-1.124	-1.155
F10	-1.124	-1.124	-1.155
F11	-1.124	1.124	-1.155
F12	0.000	0.000	-2.720

	S1	S2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
S1		2.2974	1.5889	1.5889	1.5889	1.5889	1.5718	2.7988	2.7988	2.7988	2.7988	3.8692
S2	2.2974		2.7988	2.7988	2.7988	2.7988	3.8692	1.5889	1.5889	1.5889	1.5889	1.5718
F3	1.5889	2.7988		2.2471	3.1779	2.2471	2.2303	2.6111	3.7362	3.7362	2.6111	4.1889
F4	1.5889	2.7988	2.2471		2.2471	3.1779	2.2303	3.7362	3.7362	2.6111	2.6111	4.1889
F5	1.5889	2.7988	3.1779	2.2471		2.2471	2.2303	3.7362	2.6111	2.6111	3.7362	4.1889
F6	1.5889	2.7988	2.2471	3.1779	2.2471		2.2303	2.6111	2.6111	3.7362	3.7362	4.1889
F7	1.5718	3.8692	2.2303	2.2303	2.2303	2.2303		4.1889	4.1889	4.1889	4.1889	5.4410
F8	2.7988	1.5889	2.6111	3.7362	3.7362	2.6111	4.1889		2.2471	3.1779	2.2471	2.2303
F9	2.7988	1.5889	3.7362	3.7362	2.6111	2.6111	4.1889	2.2471		2.2471	3.1779	2.2303
F10	2.7988	1.5889	3.7362	2.6111	2.6111	3.7362	4.1889	3.1779	2.2471		2.2471	2.2303
F11	2.7988	1.5889	2.6111	2.6111	3.7362	3.7362	4.1889	2.2471	3.1779	2.2471		2.2303
F12	3.8692	1.5718	4.1889	4.1889	4.1889	4.1889	5.4410	2.2303	2.2303	2.2303	2.2303

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	F8	90.239	S1	S2	F9	90.239
S1	S2	F10	90.239	S1	S2	F11	90.239
S1	S2	F12	180.000	S2	S1	F3	90.239
S2	S1	F4	90.239	S2	S1	F5	90.239
S2	S1	F6	90.239	S2	S1	F7	180.000
F3	S1	F4	89.999	F3	S1	F5	179.522
F3	S1	F6	89.999	F3	S1	F7	89.761
F4	S1	F5	89.999	F4	S1	F6	179.522
F4	S1	F7	89.761	F5	S1	F6	89.999
F5	S1	F7	89.761	F6	S1	F7	89.761
F8	S2	F9	89.999	F8	S2	F10	179.522
F8	S2	F11	89.999	F8	S2	F12	89.761
F9	S2	F10	89.999	F9	S2	F11	179.522
F9	S2	F12	89.761	F10	S2	F11	89.999
F10	S2	F12	89.761	F11	S2	F12	89.761

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

using model chemistry: PBE1PBE/cc-pVTZ

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	0.937
2	S	0.937
3	F	-0.193
4	F	-0.193
5	F	-0.193
6	F	-0.193
7	F	-0.167
8	F	-0.193
9	F	-0.193
10	F	-0.193
11	F	-0.193
12	F	-0.167

<r²>	500.600
(<r²>)^1/2	22.374

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

using model chemistry: PBE1PBE/cc-pVTZ

States and conformations

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