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	hartrees
Energy at 0K	-1794.546125
Energy at 298.15K
HF Energy	-1794.546125
Nuclear repulsion energy	1406.125043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	797	786	0.00
2	A₁	578	570	0.00
3	A₁	539	532	0.00
4	A₁	177	174	0.00
5	B₁	80	79	0.00
6	B₂	732	721	671.73
7	B₂	571	563	3.99
8	B₂	462	456	262.64
9	E₁	828	816	656.06
9	E₁	828	816	656.06
10	E₁	492	485	7.05
10	E₁	492	485	7.05
11	E₁	354	349	0.63
11	E₁	354	349	0.63
12	E₁	148	146	0.21
12	E₁	148	146	0.21
13	E₂	540	532	0.00
13	E₂	540	532	0.00
14	E₂	437	430	0.00
14	E₂	437	430	0.00
15	E₂	284	280	0.00
15	E₂	284	280	0.00
16	E₃	761	750	0.00
16	E₃	761	750	0.00
17	E₃	497	490	0.00
17	E₃	497	490	0.00
18	E₃	361	356	0.00
18	E₃	361	356	0.00
19	E₃	199	197	0.00
19	E₃	199	197	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.239
S2	0.000	0.000	-1.239
F3	0.000	1.646	1.234
F4	-1.646	0.000	1.234
F5	0.000	-1.646	1.234
F6	1.646	0.000	1.234
F7	0.000	0.000	2.857
F8	1.164	1.164	-1.234
F9	1.164	-1.164	-1.234
F10	-1.164	-1.164	-1.234
F11	-1.164	1.164	-1.234
F12	0.000	0.000	-2.857

	S1	S2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
S1		2.4787	1.6455	1.6455	1.6455	1.6455	1.6175	2.9710	2.9710	2.9710	2.9710	4.0962
S2	2.4787		2.9710	2.9710	2.9710	2.9710	4.0962	1.6455	1.6455	1.6455	1.6455	1.6175
F3	1.6455	2.9710		2.3271	3.2910	2.3271	2.3109	2.7713	3.9165	3.9165	2.7713	4.4097
F4	1.6455	2.9710	2.3271		2.3271	3.2910	2.3109	3.9165	3.9165	2.7713	2.7713	4.4097
F5	1.6455	2.9710	3.2910	2.3271		2.3271	2.3109	3.9165	2.7713	2.7713	3.9165	4.4097
F6	1.6455	2.9710	2.3271	3.2910	2.3271		2.3109	2.7713	2.7713	3.9165	3.9165	4.4097
F7	1.6175	4.0962	2.3109	2.3109	2.3109	2.3109		4.4097	4.4097	4.4097	4.4097	5.7137
F8	2.9710	1.6455	2.7713	3.9165	3.9165	2.7713	4.4097		2.3271	3.2910	2.3271	2.3109
F9	2.9710	1.6455	3.9165	3.9165	2.7713	2.7713	4.4097	2.3271		2.3271	3.2910	2.3109
F10	2.9710	1.6455	3.9165	2.7713	2.7713	3.9165	4.4097	3.2910	2.3271		2.3271	2.3109
F11	2.9710	1.6455	2.7713	2.7713	3.9165	3.9165	4.4097	2.3271	3.2910	2.3271		2.3109
F12	4.0962	1.6175	4.4097	4.4097	4.4097	4.4097	5.7137	2.3109	2.3109	2.3109	2.3109

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	F8	89.824	S1	S2	F9	89.824
S1	S2	F10	89.824	S1	S2	F11	89.824
S1	S2	F12	180.000	S2	S1	F3	89.824
S2	S1	F4	89.824	S2	S1	F5	89.824
S2	S1	F6	89.824	S2	S1	F7	180.000
F3	S1	F4	89.999	F3	S1	F5	179.648
F3	S1	F6	89.999	F3	S1	F7	90.176
F4	S1	F5	89.999	F4	S1	F6	179.648
F4	S1	F7	90.176	F5	S1	F6	89.999
F5	S1	F7	90.176	F6	S1	F7	90.176
F8	S2	F9	89.999	F8	S2	F10	179.648
F8	S2	F11	89.999	F8	S2	F12	90.176
F9	S2	F10	89.999	F9	S2	F11	179.648
F9	S2	F12	90.176	F10	S2	F11	89.999
F10	S2	F12	90.176	F11	S2	F12	90.176

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

using model chemistry: B97D3/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	0.859
2	S	0.859
3	F	-0.174
4	F	-0.174
5	F	-0.174
6	F	-0.174
7	F	-0.162
8	F	-0.174
9	F	-0.174
10	F	-0.174
11	F	-0.174
12	F	-0.162

<r²>	549.318
(<r²>)^1/2	23.438

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

using model chemistry: B97D3/TZVP

States and conformations

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