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	hartrees
Energy at 0K	-1793.364685
Energy at 298.15K
HF Energy	-1793.364685
Nuclear repulsion energy	1416.342873

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	821	811	0.00
2	A₁	603	596	0.00
3	A₁	536	530	0.00
4	A₁	179	177	0.00
5	B₁	73	72	0.00
6	B₂	751	743	612.32
7	B₂	589	582	0.58
8	B₂	461	456	260.69
9	E₁	851	841	623.07
9	E₁	851	841	623.07
10	E₁	481	475	11.09
10	E₁	481	475	11.09
11	E₁	344	340	0.81
11	E₁	344	340	0.81
12	E₁	141	140	0.13
12	E₁	141	140	0.13
13	E₂	561	555	0.00
13	E₂	561	555	0.00
14	E₂	423	418	0.00
14	E₂	423	418	0.00
15	E₂	273	270	0.00
15	E₂	273	270	0.00
16	E₃	786	777	0.00
16	E₃	786	777	0.00
17	E₃	486	481	0.00
17	E₃	486	481	0.00
18	E₃	352	348	0.00
18	E₃	352	348	0.00
19	E₃	197	195	0.00
19	E₃	197	195	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.209
S2	0.000	0.000	-1.209
F3	0.000	1.643	1.208
F4	-1.643	0.000	1.208
F5	0.000	-1.643	1.208
F6	1.643	0.000	1.208
F7	0.000	0.000	2.828
F8	1.162	1.162	-1.208
F9	1.162	-1.162	-1.208
F10	-1.162	-1.162	-1.208
F11	-1.162	1.162	-1.208
F12	0.000	0.000	-2.828

	S1	S2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
S1		2.4172	1.6432	1.6432	1.6432	1.6432	1.6196	2.9225	2.9225	2.9225	2.9225	4.0368
S2	2.4172		2.9225	2.9225	2.9225	2.9225	4.0368	1.6432	1.6432	1.6432	1.6432	1.6196
F3	1.6432	2.9225		2.3238	3.2863	2.3238	2.3075	2.7241	3.8804	3.8804	2.7241	4.3581
F4	1.6432	2.9225	2.3238		2.3238	3.2863	2.3075	3.8804	3.8804	2.7241	2.7241	4.3581
F5	1.6432	2.9225	3.2863	2.3238		2.3238	2.3075	3.8804	2.7241	2.7241	3.8804	4.3581
F6	1.6432	2.9225	2.3238	3.2863	2.3238		2.3075	2.7241	2.7241	3.8804	3.8804	4.3581
F7	1.6196	4.0368	2.3075	2.3075	2.3075	2.3075		4.3581	4.3581	4.3581	4.3581	5.6564
F8	2.9225	1.6432	2.7241	3.8804	3.8804	2.7241	4.3581		2.3238	3.2863	2.3238	2.3075
F9	2.9225	1.6432	3.8804	3.8804	2.7241	2.7241	4.3581	2.3238		2.3238	3.2863	2.3075
F10	2.9225	1.6432	3.8804	2.7241	2.7241	3.8804	4.3581	3.2863	2.3238		2.3238	2.3075
F11	2.9225	1.6432	2.7241	2.7241	3.8804	3.8804	4.3581	2.3238	3.2863	2.3238		2.3075
F12	4.0368	1.6196	4.3581	4.3581	4.3581	4.3581	5.6564	2.3075	2.3075	2.3075	2.3075

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	F8	89.986	S1	S2	F9	89.986
S1	S2	F10	89.986	S1	S2	F11	89.986
S1	S2	F12	180.000	S2	S1	F3	89.986
S2	S1	F4	89.986	S2	S1	F5	89.986
S2	S1	F6	89.986	S2	S1	F7	180.000
F3	S1	F4	90.000	F3	S1	F5	179.972
F3	S1	F6	90.000	F3	S1	F7	90.014
F4	S1	F5	90.000	F4	S1	F6	179.972
F4	S1	F7	90.014	F5	S1	F6	90.000
F5	S1	F7	90.014	F6	S1	F7	90.014
F8	S2	F9	90.000	F8	S2	F10	179.972
F8	S2	F11	90.000	F8	S2	F12	90.014
F9	S2	F10	90.000	F9	S2	F11	179.972
F9	S2	F12	90.014	F10	S2	F11	90.000
F10	S2	F12	90.014	F11	S2	F12	90.014

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

using model chemistry: PBEPBEultrafine/6-31+G**

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	1.968
2	S	1.968
3	F	-0.376
4	F	-0.376
5	F	-0.376
6	F	-0.376
7	F	-0.465
8	F	-0.376
9	F	-0.376
10	F	-0.376
11	F	-0.376
12	F	-0.465

<r²>	539.009
(<r²>)^1/2	23.217

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

using model chemistry: PBEPBEultrafine/6-31+G**

States and conformations

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