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	hartrees
Energy at 0K	-1770.759165
Energy at 298.15K
HF Energy	-1770.759165
Nuclear repulsion energy	1327.572943

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	857	753	0.00
2	A₁	615	541	0.00
3	A₁	449	395	0.00
4	A₁	141	124	0.00
5	B₁	30	26	0.00
6	B₂	783	689	297.95
7	B₂	610	537	1.64
8	B₂	383	336	187.38
9	E₁	925	813	233.50
9	E₁	925	813	233.50
10	E₁	372	327	17.27
10	E₁	372	327	17.27
11	E₁	248	218	1.57
11	E₁	248	218	1.57
12	E₁	72	63	0.62
12	E₁	72	63	0.62
13	E₂	595	523	0.00
13	E₂	595	523	0.00
14	E₂	313	275	0.00
14	E₂	313	275	0.00
15	E₂	209	183	0.00
15	E₂	209	183	0.00
16	E₃	916	805	0.00
16	E₃	916	805	0.00
17	E₃	375	330	0.00
17	E₃	375	330	0.00
18	E₃	262	230	0.00
18	E₃	262	230	0.00
19	E₃	131	115	0.00
19	E₃	131	115	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.284
S2	0.000	0.000	-1.284
F3	0.000	1.740	1.341
F4	-1.740	0.000	1.341
F5	0.000	-1.740	1.341
F6	1.740	0.000	1.341
F7	0.000	0.000	3.014
F8	1.230	1.230	-1.341
F9	1.230	-1.230	-1.341
F10	-1.230	-1.230	-1.341
F11	-1.230	1.230	-1.341
F12	0.000	0.000	-3.014

	S1	S2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
S1		2.5670	1.7405	1.7405	1.7405	1.7405	1.7305	3.1488	3.1488	3.1488	3.1488	4.2975
S2	2.5670		3.1488	3.1488	3.1488	3.1488	4.2975	1.7405	1.7405	1.7405	1.7405	1.7305
F3	1.7405	3.1488		2.4600	3.4790	2.4600	2.4134	2.9946	4.1864	4.1864	2.9946	4.6897
F4	1.7405	3.1488	2.4600		2.4600	3.4790	2.4134	4.1864	4.1864	2.9946	2.9946	4.6897
F5	1.7405	3.1488	3.4790	2.4600		2.4600	2.4134	4.1864	2.9946	2.9946	4.1864	4.6897
F6	1.7405	3.1488	2.4600	3.4790	2.4600		2.4134	2.9946	2.9946	4.1864	4.1864	4.6897
F7	1.7305	4.2975	2.4134	2.4134	2.4134	2.4134		4.6897	4.6897	4.6897	4.6897	6.0280
F8	3.1488	1.7405	2.9946	4.1864	4.1864	2.9946	4.6897		2.4600	3.4790	2.4600	2.4134
F9	3.1488	1.7405	4.1864	4.1864	2.9946	2.9946	4.6897	2.4600		2.4600	3.4790	2.4134
F10	3.1488	1.7405	4.1864	2.9946	2.9946	4.1864	4.6897	3.4790	2.4600		2.4600	2.4134
F11	3.1488	1.7405	2.9946	2.9946	4.1864	4.1864	4.6897	2.4600	3.4790	2.4600		2.4134
F12	4.2975	1.7305	4.6897	4.6897	4.6897	4.6897	6.0280	2.4134	2.4134	2.4134	2.4134

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	F8	91.898	S1	S2	F9	91.898
S1	S2	F10	91.898	S1	S2	F11	91.898
S1	S2	F12	180.000	S2	S1	F3	91.898
S2	S1	F4	91.898	S2	S1	F5	91.898
S2	S1	F6	91.898	S2	S1	F7	180.000
F3	S1	F4	89.937	F3	S1	F5	176.203
F3	S1	F6	89.937	F3	S1	F7	88.102
F4	S1	F5	89.937	F4	S1	F6	176.203
F4	S1	F7	88.102	F5	S1	F6	89.937
F5	S1	F7	88.102	F6	S1	F7	88.102
F8	S2	F9	89.937	F8	S2	F10	176.203
F8	S2	F11	89.937	F8	S2	F12	88.102
F9	S2	F10	89.937	F9	S2	F11	176.203
F9	S2	F12	88.102	F10	S2	F11	89.937
F10	S2	F12	88.102	F11	S2	F12	88.102

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

using model chemistry: mPW1PW91/STO-3G

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	0.851
2	S	0.851
3	F	-0.173
4	F	-0.173
5	F	-0.173
6	F	-0.173
7	F	-0.158
8	F	-0.173
9	F	-0.173
10	F	-0.173
11	F	-0.173
12	F	-0.158

<r²>	606.064
(<r²>)^1/2	24.618

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

using model chemistry: mPW1PW91/STO-3G

States and conformations

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