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	hartrees
Energy at 0K	-1793.875204
Energy at 298.15K
HF Energy	-1793.875204
Nuclear repulsion energy	1468.716904

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	918	883	0.00
2	A₁	687	661	0.00
3	A₁	623	599	0.00
4	A₁	233	224	0.00
5	B₁	94	90	0.00
6	B₂	825	793	617.71
7	B₂	672	646	18.61
8	B₂	527	507	236.80
9	E₁	941	905	640.07
9	E₁	941	905	640.07
10	E₁	553	532	16.19
10	E₁	553	532	16.19
11	E₁	398	383	1.34
11	E₁	398	383	1.34
12	E₁	173	166	0.22
12	E₁	173	166	0.22
13	E₂	624	600	0.00
13	E₂	624	600	0.00
14	E₂	486	467	0.00
14	E₂	486	467	0.00
15	E₂	328	315	0.00
15	E₂	328	315	0.00
16	E₃	866	833	0.00
16	E₃	866	833	0.00
17	E₃	562	540	0.00
17	E₃	562	540	0.00
18	E₃	410	394	0.00
18	E₃	410	394	0.00
19	E₃	243	233	0.00
19	E₃	243	233	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.150
S2	0.000	0.000	-1.150
F3	0.000	1.590	1.157
F4	-1.590	0.000	1.157
F5	0.000	-1.590	1.157
F6	1.590	0.000	1.157
F7	0.000	0.000	2.723
F8	1.124	1.124	-1.157
F9	1.124	-1.124	-1.157
F10	-1.124	-1.124	-1.157
F11	-1.124	1.124	-1.157
F12	0.000	0.000	-2.723

	S1	S2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
S1		2.3001	1.5900	1.5900	1.5900	1.5900	1.5730	2.8017	2.8017	2.8017	2.8017	3.8730
S2	2.3001		2.8017	2.8017	2.8017	2.8017	3.8730	1.5900	1.5900	1.5900	1.5900	1.5730
F3	1.5900	2.8017		2.2486	3.1800	2.2486	2.2318	2.6141	3.7395	3.7395	2.6141	4.1929
F4	1.5900	2.8017	2.2486		2.2486	3.1800	2.2318	3.7395	3.7395	2.6141	2.6141	4.1929
F5	1.5900	2.8017	3.1800	2.2486		2.2486	2.2318	3.7395	2.6141	2.6141	3.7395	4.1929
F6	1.5900	2.8017	2.2486	3.1800	2.2486		2.2318	2.6141	2.6141	3.7395	3.7395	4.1929
F7	1.5730	3.8730	2.2318	2.2318	2.2318	2.2318		4.1929	4.1929	4.1929	4.1929	5.4460
F8	2.8017	1.5900	2.6141	3.7395	3.7395	2.6141	4.1929		2.2486	3.1800	2.2486	2.2318
F9	2.8017	1.5900	3.7395	3.7395	2.6141	2.6141	4.1929	2.2486		2.2486	3.1800	2.2318
F10	2.8017	1.5900	3.7395	2.6141	2.6141	3.7395	4.1929	3.1800	2.2486		2.2486	2.2318
F11	2.8017	1.5900	2.6141	2.6141	3.7395	3.7395	4.1929	2.2486	3.1800	2.2486		2.2318
F12	3.8730	1.5730	4.1929	4.1929	4.1929	4.1929	5.4460	2.2318	2.2318	2.2318	2.2318

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	F8	90.243	S1	S2	F9	90.243
S1	S2	F10	90.243	S1	S2	F11	90.243
S1	S2	F12	180.000	S2	S1	F3	90.243
S2	S1	F4	90.243	S2	S1	F5	90.243
S2	S1	F6	90.243	S2	S1	F7	180.000
F3	S1	F4	89.999	F3	S1	F5	179.515
F3	S1	F6	89.999	F3	S1	F7	89.757
F4	S1	F5	89.999	F4	S1	F6	179.515
F4	S1	F7	89.757	F5	S1	F6	89.999
F5	S1	F7	89.757	F6	S1	F7	89.757
F8	S2	F9	89.999	F8	S2	F10	179.515
F8	S2	F11	89.999	F8	S2	F12	89.757
F9	S2	F10	89.999	F9	S2	F11	179.515
F9	S2	F12	89.757	F10	S2	F11	89.999
F10	S2	F12	89.757	F11	S2	F12	89.757

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

using model chemistry: PBE1PBE/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	2.487
2	S	2.487
3	F	-0.501
4	F	-0.501
5	F	-0.501
6	F	-0.501
7	F	-0.484
8	F	-0.501
9	F	-0.501
10	F	-0.501
11	F	-0.501
12	F	-0.484

<r²>	501.779
(<r²>)^1/2	22.400

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

using model chemistry: PBE1PBE/aug-cc-pVTZ

States and conformations

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