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	hartrees
Energy at 0K	-1784.962328
Energy at 298.15K
HF Energy	-1784.962328
Nuclear repulsion energy	1370.294314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	878	847	0.00
2	A₁	599	578	0.00
3	A₁	463	447	0.00
4	A₁	161	156	0.00
5	B₁	37	36	0.00
6	B₂	831	801	359.87
7	B₂	583	563	34.15
8	B₂	388	374	292.32
9	E₁	885	854	350.62
9	E₁	885	854	350.62
10	E₁	386	372	22.68
10	E₁	386	372	22.68
11	E₁	256	247	3.46
11	E₁	256	247	3.46
12	E₁	85	82	0.61
12	E₁	85	82	0.61
13	E₂	596	576	0.00
13	E₂	596	576	0.00
14	E₂	325	314	0.00
14	E₂	325	314	0.00
15	E₂	195	188	0.00
15	E₂	195	188	0.00
16	E₃	834	804	0.00
16	E₃	834	804	0.00
17	E₃	383	369	0.00
17	E₃	383	369	0.00
18	E₃	256	247	0.00
18	E₃	256	247	0.00
19	E₃	118	114	0.00
19	E₃	118	114	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.264
S2	0.000	0.000	-1.264
F3	0.000	1.701	1.237
F4	-1.701	0.000	1.237
F5	0.000	-1.701	1.237
F6	1.701	0.000	1.237
F7	0.000	0.000	2.920
F8	1.203	1.203	-1.237
F9	1.203	-1.203	-1.237
F10	-1.203	-1.203	-1.237
F11	-1.203	1.203	-1.237
F12	0.000	0.000	-2.920

	S1	S2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
S1		2.5271	1.7011	1.7011	1.7011	1.7011	1.6565	3.0243	3.0243	3.0243	3.0243	4.1836
S2	2.5271		3.0243	3.0243	3.0243	3.0243	4.1836	1.7011	1.7011	1.7011	1.7011	1.6565
F3	1.7011	3.0243		2.4054	3.4018	2.4054	2.3927	2.7958	3.9999	3.9999	2.7958	4.4917
F4	1.7011	3.0243	2.4054		2.4054	3.4018	2.3927	3.9999	3.9999	2.7958	2.7958	4.4917
F5	1.7011	3.0243	3.4018	2.4054		2.4054	2.3927	3.9999	2.7958	2.7958	3.9999	4.4917
F6	1.7011	3.0243	2.4054	3.4018	2.4054		2.3927	2.7958	2.7958	3.9999	3.9999	4.4917
F7	1.6565	4.1836	2.3927	2.3927	2.3927	2.3927		4.4917	4.4917	4.4917	4.4917	5.8401
F8	3.0243	1.7011	2.7958	3.9999	3.9999	2.7958	4.4917		2.4054	3.4018	2.4054	2.3927
F9	3.0243	1.7011	3.9999	3.9999	2.7958	2.7958	4.4917	2.4054		2.4054	3.4018	2.3927
F10	3.0243	1.7011	3.9999	2.7958	2.7958	3.9999	4.4917	3.4018	2.4054		2.4054	2.3927
F11	3.0243	1.7011	2.7958	2.7958	3.9999	3.9999	4.4917	2.4054	3.4018	2.4054		2.3927
F12	4.1836	1.6565	4.4917	4.4917	4.4917	4.4917	5.8401	2.3927	2.3927	2.3927	2.3927

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	F8	89.110	S1	S2	F9	89.110
S1	S2	F10	89.110	S1	S2	F11	89.110
S1	S2	F12	180.000	S2	S1	F3	89.110
S2	S1	F4	89.110	S2	S1	F5	89.110
S2	S1	F6	89.110	S2	S1	F7	180.000
F3	S1	F4	89.986	F3	S1	F5	178.219
F3	S1	F6	89.986	F3	S1	F7	90.890
F4	S1	F5	89.986	F4	S1	F6	178.219
F4	S1	F7	90.890	F5	S1	F6	89.986
F5	S1	F7	90.890	F6	S1	F7	90.890
F8	S2	F9	89.986	F8	S2	F10	178.219
F8	S2	F11	89.986	F8	S2	F12	90.890
F9	S2	F10	89.986	F9	S2	F11	178.219
F9	S2	F12	90.890	F10	S2	F11	89.986
F10	S2	F12	90.890	F11	S2	F12	90.890

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

using model chemistry: B3LYPultrafine/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	1.556
2	S	1.556
3	F	-0.315
4	F	-0.315
5	F	-0.315
6	F	-0.315
7	F	-0.296
8	F	-0.315
9	F	-0.315
10	F	-0.315
11	F	-0.315
12	F	-0.296

<r²>	571.757
(<r²>)^1/2	23.911

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

using model chemistry: B3LYPultrafine/3-21G

States and conformations

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