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	hartrees
Energy at 0K	-1795.091707
Energy at 298.15K
HF Energy	-1795.091707
Nuclear repulsion energy	1448.987566

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	877	848	0.00
2	A₁	648	627	0.00
3	A₁	598	579	0.00
4	A₁	211	204	0.00
5	B₁	85	82	0.00
6	B₂	791	766	625.95
7	B₂	639	618	15.83
8	B₂	503	486	251.04
9	E₁	890	861	631.25
9	E₁	890	861	631.25
10	E₁	534	517	12.46
10	E₁	534	517	12.46
11	E₁	383	370	0.96
11	E₁	383	370	0.96
12	E₁	162	157	0.18
12	E₁	162	157	0.18
13	E₂	593	574	0.00
13	E₂	593	574	0.00
14	E₂	468	453	0.00
14	E₂	468	453	0.00
15	E₂	312	302	0.00
15	E₂	312	302	0.00
16	E₃	819	792	0.00
16	E₃	819	792	0.00
17	E₃	543	525	0.00
17	E₃	543	525	0.00
18	E₃	394	381	0.00
18	E₃	394	381	0.00
19	E₃	228	220	0.00
19	E₃	228	220	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.178
S2	0.000	0.000	-1.178
F3	0.000	1.607	1.182
F4	-1.607	0.000	1.182
F5	0.000	-1.607	1.182
F6	1.607	0.000	1.182
F7	0.000	0.000	2.763
F8	1.136	1.136	-1.182
F9	1.136	-1.136	-1.182
F10	-1.136	-1.136	-1.182
F11	-1.136	1.136	-1.182
F12	0.000	0.000	-2.763

	S1	S2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
S1		2.3565	1.6068	1.6068	1.6068	1.6068	1.5845	2.8550	2.8550	2.8550	2.8550	3.9410
S2	2.3565		2.8550	2.8550	2.8550	2.8550	3.9410	1.6068	1.6068	1.6068	1.6068	1.5845
F3	1.6068	2.8550		2.2723	3.2135	2.2723	2.2542	2.6642	3.7948	3.7948	2.6642	4.2591
F4	1.6068	2.8550	2.2723		2.2723	3.2135	2.2542	3.7948	3.7948	2.6642	2.6642	4.2591
F5	1.6068	2.8550	3.2135	2.2723		2.2723	2.2542	3.7948	2.6642	2.6642	3.7948	4.2591
F6	1.6068	2.8550	2.2723	3.2135	2.2723		2.2542	2.6642	2.6642	3.7948	3.7948	4.2591
F7	1.5845	3.9410	2.2542	2.2542	2.2542	2.2542		4.2591	4.2591	4.2591	4.2591	5.5255
F8	2.8550	1.6068	2.6642	3.7948	3.7948	2.6642	4.2591		2.2723	3.2135	2.2723	2.2542
F9	2.8550	1.6068	3.7948	3.7948	2.6642	2.6642	4.2591	2.2723		2.2723	3.2135	2.2542
F10	2.8550	1.6068	3.7948	2.6642	2.6642	3.7948	4.2591	3.2135	2.2723		2.2723	2.2542
F11	2.8550	1.6068	2.6642	2.6642	3.7948	3.7948	4.2591	2.2723	3.2135	2.2723		2.2542
F12	3.9410	1.5845	4.2591	4.2591	4.2591	4.2591	5.5255	2.2542	2.2542	2.2542	2.2542

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	F8	90.122	S1	S2	F9	90.122
S1	S2	F10	90.122	S1	S2	F11	90.122
S1	S2	F12	180.000	S2	S1	F3	90.122
S2	S1	F4	90.122	S2	S1	F5	90.122
S2	S1	F6	90.122	S2	S1	F7	180.000
F3	S1	F4	90.000	F3	S1	F5	179.755
F3	S1	F6	90.000	F3	S1	F7	89.878
F4	S1	F5	90.000	F4	S1	F6	179.755
F4	S1	F7	89.878	F5	S1	F6	90.000
F5	S1	F7	89.878	F6	S1	F7	89.878
F8	S2	F9	90.000	F8	S2	F10	179.755
F8	S2	F11	90.000	F8	S2	F12	89.878
F9	S2	F10	90.000	F9	S2	F11	179.755
F9	S2	F12	89.878	F10	S2	F11	90.000
F10	S2	F12	89.878	F11	S2	F12	89.878

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

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

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	2.693
2	S	2.693
3	F	-0.542
4	F	-0.542
5	F	-0.542
6	F	-0.542
7	F	-0.526
8	F	-0.542
9	F	-0.542
10	F	-0.542
11	F	-0.542
12	F	-0.526

<r²>	516.402
(<r²>)^1/2	22.724

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

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

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