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	hartrees
Energy at 0K	-1784.577308
Energy at 298.15K
HF Energy	-1784.577308
Nuclear repulsion energy	1337.558356

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	810	796	0.00
2	A₁	548	538	0.00
3	A₁	407	400	0.00
4	A₁	146	143	0.00
5	B₁	56	55	0.00
6	B₂	774	761	320.20
7	B₂	532	523	45.42
8	B₂	357	351	209.95
9	E₁	807	793	320.76
9	E₁	807	793	320.76
10	E₁	361	355	13.12
10	E₁	361	355	13.12
11	E₁	244	239	2.21
11	E₁	244	239	2.21
12	E₁	86	85	0.36
12	E₁	86	85	0.36
13	E₂	543	534	0.00
13	E₂	543	534	0.00
14	E₂	311	306	0.00
14	E₂	311	306	0.00
15	E₂	178	175	0.00
15	E₂	178	175	0.00
16	E₃	763	750	0.00
16	E₃	763	750	0.00
17	E₃	360	354	0.00
17	E₃	360	354	0.00
18	E₃	241	237	0.00
18	E₃	241	237	0.00
19	E₃	99	98	0.00
19	E₃	99	98	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.325
S2	0.000	0.000	-1.325
F3	0.000	1.730	1.288
F4	-1.730	0.000	1.288
F5	0.000	-1.730	1.288
F6	1.730	0.000	1.288
F7	0.000	0.000	3.005
F8	1.223	1.223	-1.288
F9	1.223	-1.223	-1.288
F10	-1.223	-1.223	-1.288
F11	-1.223	1.223	-1.288
F12	0.000	0.000	-3.005

	S1	S2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
S1		2.6504	1.7302	1.7302	1.7302	1.7302	1.6796	3.1334	3.1334	3.1334	3.1334	4.3299
S2	2.6504		3.1334	3.1334	3.1334	3.1334	4.3299	1.7302	1.7302	1.7302	1.7302	1.6796
F3	1.7302	3.1334		2.4463	3.4596	2.4463	2.4375	2.8954	4.1045	4.1045	2.8954	4.6277
F4	1.7302	3.1334	2.4463		2.4463	3.4596	2.4375	4.1045	4.1045	2.8954	2.8954	4.6277
F5	1.7302	3.1334	3.4596	2.4463		2.4463	2.4375	4.1045	2.8954	2.8954	4.1045	4.6277
F6	1.7302	3.1334	2.4463	3.4596	2.4463		2.4375	2.8954	2.8954	4.1045	4.1045	4.6277
F7	1.6796	4.3299	2.4375	2.4375	2.4375	2.4375		4.6277	4.6277	4.6277	4.6277	6.0095
F8	3.1334	1.7302	2.8954	4.1045	4.1045	2.8954	4.6277		2.4463	3.4596	2.4463	2.4375
F9	3.1334	1.7302	4.1045	4.1045	2.8954	2.8954	4.6277	2.4463		2.4463	3.4596	2.4375
F10	3.1334	1.7302	4.1045	2.8954	2.8954	4.1045	4.6277	3.4596	2.4463		2.4463	2.4375
F11	3.1334	1.7302	2.8954	2.8954	4.1045	4.1045	4.6277	2.4463	3.4596	2.4463		2.4375
F12	4.3299	1.6796	4.6277	4.6277	4.6277	4.6277	6.0095	2.4375	2.4375	2.4375	2.4375

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	F8	88.752	S1	S2	F9	88.752
S1	S2	F10	88.752	S1	S2	F11	88.752
S1	S2	F12	180.000	S2	S1	F3	88.752
S2	S1	F4	88.752	S2	S1	F5	88.752
S2	S1	F6	88.752	S2	S1	F7	180.000
F3	S1	F4	89.973	F3	S1	F5	177.505
F3	S1	F6	89.973	F3	S1	F7	91.248
F4	S1	F5	89.973	F4	S1	F6	177.505
F4	S1	F7	91.248	F5	S1	F6	89.973
F5	S1	F7	91.248	F6	S1	F7	91.248
F8	S2	F9	89.973	F8	S2	F10	177.505
F8	S2	F11	89.973	F8	S2	F12	91.248
F9	S2	F10	89.973	F9	S2	F11	177.505
F9	S2	F12	91.248	F10	S2	F11	89.973
F10	S2	F12	91.248	F11	S2	F12	91.248

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

using model chemistry: B97D3/3-21G

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	1.448
2	S	1.448
3	F	-0.292
4	F	-0.292
5	F	-0.292
6	F	-0.292
7	F	-0.279
8	F	-0.292
9	F	-0.292
10	F	-0.292
11	F	-0.292
12	F	-0.279

<r²>	601.680
(<r²>)^1/2	24.529

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

using model chemistry: B97D3/3-21G

States and conformations

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