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	hartrees
Energy at 0K	-1785.341401
Energy at 298.15K
HF Energy	-1785.341401
Nuclear repulsion energy	1488.824252

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1019	968	0.00
2	A₁	746	709	0.00
3	A₁	633	601	0.00
4	A₁	271	258	0.00
5	B₁	112	107	0.00
6	B₂	932	885	569.18
7	B₂	723	687	0.00
8	B₂	562	534	264.55
9	E₁	1066	1013	571.63
9	E₁	1066	1013	571.63
10	E₁	544	517	33.83
10	E₁	544	517	33.83
11	E₁	399	379	5.82
11	E₁	399	379	5.82
12	E₁	184	175	0.94
12	E₁	184	175	0.94
13	E₂	707	671	0.00
13	E₂	707	671	0.00
14	E₂	476	452	0.00
14	E₂	476	452	0.00
15	E₂	335	318	0.00
15	E₂	335	318	0.00
16	E₃	994	944	0.00
16	E₃	994	944	0.00
17	E₃	547	519	0.00
17	E₃	547	519	0.00
18	E₃	404	384	0.00
18	E₃	404	384	0.00
19	E₃	248	236	0.00
19	E₃	248	236	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.094
S2	0.000	0.000	-1.094
F3	0.000	1.589	1.102
F4	-1.589	0.000	1.102
F5	0.000	-1.589	1.102
F6	1.589	0.000	1.102
F7	0.000	0.000	2.671
F8	1.124	1.124	-1.102
F9	1.124	-1.124	-1.102
F10	-1.124	-1.124	-1.102
F11	-1.124	1.124	-1.102
F12	0.000	0.000	-2.671

	S1	S2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
S1		2.1882	1.5893	1.5893	1.5893	1.5893	1.5772	2.7111	2.7111	2.7111	2.7111	3.7654
S2	2.1882		2.7111	2.7111	2.7111	2.7111	3.7654	1.5893	1.5893	1.5893	1.5893	1.5772
F3	1.5893	2.7111		2.2476	3.1786	2.2476	2.2333	2.5179	3.6721	3.6721	2.5179	4.0946
F4	1.5893	2.7111	2.2476		2.2476	3.1786	2.2333	3.6721	3.6721	2.5179	2.5179	4.0946
F5	1.5893	2.7111	3.1786	2.2476		2.2476	2.2333	3.6721	2.5179	2.5179	3.6721	4.0946
F6	1.5893	2.7111	2.2476	3.1786	2.2476		2.2333	2.5179	2.5179	3.6721	3.6721	4.0946
F7	1.5772	3.7654	2.2333	2.2333	2.2333	2.2333		4.0946	4.0946	4.0946	4.0946	5.3426
F8	2.7111	1.5893	2.5179	3.6721	3.6721	2.5179	4.0946		2.2476	3.1786	2.2476	2.2333
F9	2.7111	1.5893	3.6721	3.6721	2.5179	2.5179	4.0946	2.2476		2.2476	3.1786	2.2333
F10	2.7111	1.5893	3.6721	2.5179	2.5179	3.6721	4.0946	3.1786	2.2476		2.2476	2.2333
F11	2.7111	1.5893	2.5179	2.5179	3.6721	3.6721	4.0946	2.2476	3.1786	2.2476		2.2333
F12	3.7654	1.5772	4.0946	4.0946	4.0946	4.0946	5.3426	2.2333	2.2333	2.2333	2.2333

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	F8	90.295	S1	S2	F9	90.295
S1	S2	F10	90.295	S1	S2	F11	90.295
S1	S2	F12	180.000	S2	S1	F3	90.295
S2	S1	F4	90.295	S2	S1	F5	90.295
S2	S1	F6	90.295	S2	S1	F7	180.000
F3	S1	F4	89.998	F3	S1	F5	179.410
F3	S1	F6	89.998	F3	S1	F7	89.705
F4	S1	F5	89.998	F4	S1	F6	179.410
F4	S1	F7	89.705	F5	S1	F6	89.998
F5	S1	F7	89.705	F6	S1	F7	89.705
F8	S2	F9	89.998	F8	S2	F10	179.410
F8	S2	F11	89.998	F8	S2	F12	89.705
F9	S2	F10	89.998	F9	S2	F11	179.410
F9	S2	F12	89.705	F10	S2	F11	89.998
F10	S2	F12	89.705	F11	S2	F12	89.705

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

using model chemistry: mPW1PW91/3-21G*

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	1.470
2	S	1.470
3	F	-0.298
4	F	-0.298
5	F	-0.298
6	F	-0.298
7	F	-0.279
8	F	-0.298
9	F	-0.298
10	F	-0.298
11	F	-0.298
12	F	-0.279

<r²>	483.147
(<r²>)^1/2	21.981

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

using model chemistry: mPW1PW91/3-21G*

States and conformations

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