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	hartrees
Energy at 0K	-1794.455939
Energy at 298.15K
HF Energy	-1794.455939
Nuclear repulsion energy	1482.306666

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	945	902	0.00
2	A₁	698	666	0.00
3	A₁	636	607	0.00
4	A₁	257	245	0.00
5	B₁	106	101	0.00
6	B₂	846	808	570.21
7	B₂	681	650	13.92
8	B₂	548	523	196.47
9	E₁	968	924	560.41
9	E₁	968	924	560.41
10	E₁	564	538	13.96
10	E₁	564	538	13.96
11	E₁	411	392	1.69
11	E₁	411	392	1.69
12	E₁	185	177	0.29
12	E₁	185	177	0.29
13	E₂	634	606	0.00
13	E₂	634	606	0.00
14	E₂	495	473	0.00
14	E₂	495	473	0.00
15	E₂	343	328	0.00
15	E₂	343	328	0.00
16	E₃	895	854	0.00
16	E₃	895	854	0.00
17	E₃	573	547	0.00
17	E₃	573	547	0.00
18	E₃	420	401	0.00
18	E₃	420	401	0.00
19	E₃	256	244	0.00
19	E₃	256	244	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.131
S2	0.000	0.000	-1.131
F3	0.000	1.580	1.138
F4	-1.580	0.000	1.138
F5	0.000	-1.580	1.138
F6	1.580	0.000	1.138
F7	0.000	0.000	2.695
F8	1.117	1.117	-1.138
F9	1.117	-1.117	-1.138
F10	-1.117	-1.117	-1.138
F11	-1.117	1.117	-1.138
F12	0.000	0.000	-2.695

	S1	S2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
S1		2.2621	1.5798	1.5798	1.5798	1.5798	1.5636	2.7647	2.7647	2.7647	2.7647	3.8257
S2	2.2621		2.7647	2.7647	2.7647	2.7647	3.8257	1.5798	1.5798	1.5798	1.5798	1.5636
F3	1.5798	2.7647		2.2342	3.1596	2.2342	2.2180	2.5769	3.7013	3.7013	2.5769	4.1453
F4	1.5798	2.7647	2.2342		2.2342	3.1596	2.2180	3.7013	3.7013	2.5769	2.5769	4.1453
F5	1.5798	2.7647	3.1596	2.2342		2.2342	2.2180	3.7013	2.5769	2.5769	3.7013	4.1453
F6	1.5798	2.7647	2.2342	3.1596	2.2342		2.2180	2.5769	2.5769	3.7013	3.7013	4.1453
F7	1.5636	3.8257	2.2180	2.2180	2.2180	2.2180		4.1453	4.1453	4.1453	4.1453	5.3893
F8	2.7647	1.5798	2.5769	3.7013	3.7013	2.5769	4.1453		2.2342	3.1596	2.2342	2.2180
F9	2.7647	1.5798	3.7013	3.7013	2.5769	2.5769	4.1453	2.2342		2.2342	3.1596	2.2180
F10	2.7647	1.5798	3.7013	2.5769	2.5769	3.7013	4.1453	3.1596	2.2342		2.2342	2.2180
F11	2.7647	1.5798	2.5769	2.5769	3.7013	3.7013	4.1453	2.2342	3.1596	2.2342		2.2180
F12	3.8257	1.5636	4.1453	4.1453	4.1453	4.1453	5.3893	2.2180	2.2180	2.2180	2.2180

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	F8	90.246	S1	S2	F9	90.246
S1	S2	F10	90.246	S1	S2	F11	90.246
S1	S2	F12	180.000	S2	S1	F3	90.246
S2	S1	F4	90.246	S2	S1	F5	90.246
S2	S1	F6	90.246	S2	S1	F7	180.000
F3	S1	F4	89.999	F3	S1	F5	179.507
F3	S1	F6	89.999	F3	S1	F7	89.754
F4	S1	F5	89.999	F4	S1	F6	179.507
F4	S1	F7	89.754	F5	S1	F6	89.999
F5	S1	F7	89.754	F6	S1	F7	89.754
F8	S2	F9	89.999	F8	S2	F10	179.507
F8	S2	F11	89.999	F8	S2	F12	89.754
F9	S2	F10	89.999	F9	S2	F11	179.507
F9	S2	F12	89.754	F10	S2	F11	89.999
F10	S2	F12	89.754	F11	S2	F12	89.754

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

using model chemistry: mPW1PW91/6-31G(2df,p)

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	0.657
2	S	0.657
3	F	-0.158
4	F	-0.158
5	F	-0.158
6	F	-0.158
7	F	-0.026
8	F	-0.158
9	F	-0.158
10	F	-0.158
11	F	-0.158
12	F	-0.026

<r²>	490.510
(<r²>)^1/2	22.147

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

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

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