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	hartrees
Energy at 0K	-1794.758747
Energy at 298.15K
HF Energy	-1794.758747
Nuclear repulsion energy	1450.493111

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	895	854	0.00
2	A₁	658	628	0.00
3	A₁	603	575	0.00
4	A₁	224	214	0.00
5	B₁	93	88	0.00
6	B₂	806	769	686.95
7	B₂	644	614	9.79
8	B₂	514	491	267.76
9	E₁	929	886	709.49
9	E₁	929	886	709.49
10	E₁	538	514	18.37
10	E₁	538	514	18.37
11	E₁	390	372	1.65
11	E₁	390	372	1.65
12	E₁	166	159	0.43
12	E₁	166	159	0.43
13	E₂	608	580	0.00
13	E₂	608	580	0.00
14	E₂	475	453	0.00
14	E₂	475	453	0.00
15	E₂	318	303	0.00
15	E₂	318	303	0.00
16	E₃	857	818	0.00
16	E₃	857	818	0.00
17	E₃	547	522	0.00
17	E₃	547	522	0.00
18	E₃	400	381	0.00
18	E₃	400	381	0.00
19	E₃	232	222	0.00
19	E₃	232	222	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.170
S2	0.000	0.000	-1.170
F3	0.000	1.607	1.175
F4	-1.607	0.000	1.175
F5	0.000	-1.607	1.175
F6	1.607	0.000	1.175
F7	0.000	0.000	2.761
F8	1.136	1.136	-1.175
F9	1.136	-1.136	-1.175
F10	-1.136	-1.136	-1.175
F11	-1.136	1.136	-1.175
F12	0.000	0.000	-2.761

	S1	S2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
S1		2.3406	1.6072	1.6072	1.6072	1.6072	1.5906	2.8431	2.8431	2.8431	2.8431	3.9312
S2	2.3406		2.8431	2.8431	2.8431	2.8431	3.9312	1.6072	1.6072	1.6072	1.6072	1.5906
F3	1.6072	2.8431		2.2729	3.2144	2.2729	2.2580	2.6524	3.7870	3.7870	2.6524	4.2514
F4	1.6072	2.8431	2.2729		2.2729	3.2144	2.2580	3.7870	3.7870	2.6524	2.6524	4.2514
F5	1.6072	2.8431	3.2144	2.2729		2.2729	2.2580	3.7870	2.6524	2.6524	3.7870	4.2514
F6	1.6072	2.8431	2.2729	3.2144	2.2729		2.2580	2.6524	2.6524	3.7870	3.7870	4.2514
F7	1.5906	3.9312	2.2580	2.2580	2.2580	2.2580		4.2514	4.2514	4.2514	4.2514	5.5218
F8	2.8431	1.6072	2.6524	3.7870	3.7870	2.6524	4.2514		2.2729	3.2144	2.2729	2.2580
F9	2.8431	1.6072	3.7870	3.7870	2.6524	2.6524	4.2514	2.2729		2.2729	3.2144	2.2580
F10	2.8431	1.6072	3.7870	2.6524	2.6524	3.7870	4.2514	3.2144	2.2729		2.2729	2.2580
F11	2.8431	1.6072	2.6524	2.6524	3.7870	3.7870	4.2514	2.2729	3.2144	2.2729		2.2580
F12	3.9312	1.5906	4.2514	4.2514	4.2514	4.2514	5.5218	2.2580	2.2580	2.2580	2.2580

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	F8	90.165	S1	S2	F9	90.165
S1	S2	F10	90.165	S1	S2	F11	90.165
S1	S2	F12	180.000	S2	S1	F3	90.165
S2	S1	F4	90.165	S2	S1	F5	90.165
S2	S1	F6	90.165	S2	S1	F7	180.000
F3	S1	F4	90.000	F3	S1	F5	179.670
F3	S1	F6	90.000	F3	S1	F7	89.835
F4	S1	F5	90.000	F4	S1	F6	179.670
F4	S1	F7	89.835	F5	S1	F6	90.000
F5	S1	F7	89.835	F6	S1	F7	89.835
F8	S2	F9	90.000	F8	S2	F10	179.670
F8	S2	F11	90.000	F8	S2	F12	89.835
F9	S2	F10	90.000	F9	S2	F11	179.670
F9	S2	F12	89.835	F10	S2	F11	90.000
F10	S2	F12	89.835	F11	S2	F12	89.835

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

using model chemistry: mPW1PW91/TZVP

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	0.874
2	S	0.874
3	F	-0.174
4	F	-0.174
5	F	-0.174
6	F	-0.174
7	F	-0.177
8	F	-0.174
9	F	-0.174
10	F	-0.174
11	F	-0.174
12	F	-0.177

<r²>	515.048
(<r²>)^1/2	22.695

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

using model chemistry: mPW1PW91/TZVP

States and conformations

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