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	hartrees
Energy at 0K	-1793.293103
Energy at 298.15K
HF Energy	-1793.293103
Nuclear repulsion energy	1436.856680

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	872	860	0.00
2	A₁	646	637	0.00
3	A₁	556	549	0.00
4	A₁	213	210	0.00
5	B₁	96	95	0.00
6	B₂	802	791	535.15
7	B₂	625	616	0.18
8	B₂	491	484	212.33
9	E₁	914	902	534.58
9	E₁	914	902	534.58
10	E₁	489	482	12.49
10	E₁	489	482	12.49
11	E₁	355	350	1.62
11	E₁	355	350	1.62
12	E₁	158	156	0.27
12	E₁	158	156	0.27
13	E₂	604	596	0.00
13	E₂	604	596	0.00
14	E₂	433	427	0.00
14	E₂	433	427	0.00
15	E₂	289	285	0.00
15	E₂	289	285	0.00
16	E₃	849	837	0.00
16	E₃	849	837	0.00
17	E₃	494	487	0.00
17	E₃	494	487	0.00
18	E₃	361	356	0.00
18	E₃	361	356	0.00
19	E₃	212	209	0.00
19	E₃	212	209	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.166
S2	0.000	0.000	-1.166
F3	0.000	1.633	1.166
F4	-1.633	0.000	1.166
F5	0.000	-1.633	1.166
F6	1.633	0.000	1.166
F7	0.000	0.000	2.779
F8	1.154	1.154	-1.166
F9	1.154	-1.154	-1.166
F10	-1.154	-1.154	-1.166
F11	-1.154	1.154	-1.166
F12	0.000	0.000	-2.779

	S1	S2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
S1		2.3320	1.6326	1.6326	1.6326	1.6326	1.6126	2.8465	2.8465	2.8465	2.8465	3.9446
S2	2.3320		2.8465	2.8465	2.8465	2.8465	3.9446	1.6326	1.6326	1.6326	1.6326	1.6126
F3	1.6326	2.8465		2.3089	3.2652	2.3089	2.2949	2.6452	3.8126	3.8126	2.6452	4.2688
F4	1.6326	2.8465	2.3089		2.3089	3.2652	2.2949	3.8126	3.8126	2.6452	2.6452	4.2688
F5	1.6326	2.8465	3.2652	2.3089		2.3089	2.2949	3.8126	2.6452	2.6452	3.8126	4.2688
F6	1.6326	2.8465	2.3089	3.2652	2.3089		2.2949	2.6452	2.6452	3.8126	3.8126	4.2688
F7	1.6126	3.9446	2.2949	2.2949	2.2949	2.2949		4.2688	4.2688	4.2688	4.2688	5.5571
F8	2.8465	1.6326	2.6452	3.8126	3.8126	2.6452	4.2688		2.3089	3.2652	2.3089	2.2949
F9	2.8465	1.6326	3.8126	3.8126	2.6452	2.6452	4.2688	2.3089		2.3089	3.2652	2.2949
F10	2.8465	1.6326	3.8126	2.6452	2.6452	3.8126	4.2688	3.2652	2.3089		2.3089	2.2949
F11	2.8465	1.6326	2.6452	2.6452	3.8126	3.8126	4.2688	2.3089	3.2652	2.3089		2.2949
F12	3.9446	1.6126	4.2688	4.2688	4.2688	4.2688	5.5571	2.2949	2.2949	2.2949	2.2949

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	F8	89.991	S1	S2	F9	89.991
S1	S2	F10	89.991	S1	S2	F11	89.991
S1	S2	F12	180.000	S2	S1	F3	89.991
S2	S1	F4	89.991	S2	S1	F5	89.991
S2	S1	F6	89.991	S2	S1	F7	180.000
F3	S1	F4	90.000	F3	S1	F5	179.981
F3	S1	F6	90.000	F3	S1	F7	90.009
F4	S1	F5	90.000	F4	S1	F6	179.981
F4	S1	F7	90.009	F5	S1	F6	90.000
F5	S1	F7	90.009	F6	S1	F7	90.009
F8	S2	F9	90.000	F8	S2	F10	179.981
F8	S2	F11	90.000	F8	S2	F12	90.009
F9	S2	F10	90.000	F9	S2	F11	179.981
F9	S2	F12	90.009	F10	S2	F11	90.000
F10	S2	F12	90.009	F11	S2	F12	90.009

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

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

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	1.333
2	S	1.333
3	F	-0.274
4	F	-0.274
5	F	-0.274
6	F	-0.274
7	F	-0.239
8	F	-0.274
9	F	-0.274
10	F	-0.274
11	F	-0.274
12	F	-0.239

<r²>	518.871
(<r²>)^1/2	22.779

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

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

States and conformations

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