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	hartrees
Energy at 0K	-1794.030709
Energy at 298.15K
HF Energy	-1794.030709
Nuclear repulsion energy	1311.143032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	773	744	0.00
2	A₁	546	525	0.00
3	A₁	383	369	0.00
4	A₁	127	122	0.00
5	B₁	47	45	0.00
6	B₂	748	719	319.76
7	B₂	539	518	22.04
8	B₂	341	328	228.58
9	E₁	800	770	320.95
9	E₁	800	770	320.95
10	E₁	340	327	17.91
10	E₁	340	327	17.91
11	E₁	229	221	2.10
11	E₁	229	221	2.10
12	E₁	86	82	0.39
12	E₁	86	82	0.39
13	E₂	533	513	0.00
13	E₂	533	513	0.00
14	E₂	292	280	0.00
14	E₂	292	280	0.00
15	E₂	177	170	0.00
15	E₂	177	170	0.00
16	E₃	763	734	0.00
16	E₃	763	734	0.00
17	E₃	339	326	0.00
17	E₃	339	326	0.00
18	E₃	232	224	0.00
18	E₃	232	224	0.00
19	E₃	115	110	0.00
19	E₃	115	110	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.340
S2	0.000	0.000	-1.340
F3	0.000	1.765	1.320
F4	-1.765	0.000	1.320
F5	0.000	-1.765	1.320
F6	1.765	0.000	1.320
F7	0.000	0.000	3.062
F8	1.248	1.248	-1.320
F9	1.248	-1.248	-1.320
F10	-1.248	-1.248	-1.320
F11	-1.248	1.248	-1.320
F12	0.000	0.000	-3.062

	S1	S2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
S1		2.6795	1.7654	1.7654	1.7654	1.7654	1.7218	3.1919	3.1919	3.1919	3.1919	4.4013
S2	2.6795		3.1919	3.1919	3.1919	3.1919	4.4013	1.7654	1.7654	1.7654	1.7654	1.7218
F3	1.7654	3.1919		2.4965	3.5306	2.4965	2.4801	2.9649	4.1958	4.1958	2.9649	4.7234
F4	1.7654	3.1919	2.4965		2.4965	3.5306	2.4801	4.1958	4.1958	2.9649	2.9649	4.7234
F5	1.7654	3.1919	3.5306	2.4965		2.4965	2.4801	4.1958	2.9649	2.9649	4.1958	4.7234
F6	1.7654	3.1919	2.4965	3.5306	2.4965		2.4801	2.9649	2.9649	4.1958	4.1958	4.7234
F7	1.7218	4.4013	2.4801	2.4801	2.4801	2.4801		4.7234	4.7234	4.7234	4.7234	6.1232
F8	3.1919	1.7654	2.9649	4.1958	4.1958	2.9649	4.7234		2.4965	3.5306	2.4965	2.4801
F9	3.1919	1.7654	4.1958	4.1958	2.9649	2.9649	4.7234	2.4965		2.4965	3.5306	2.4801
F10	3.1919	1.7654	4.1958	2.9649	2.9649	4.1958	4.7234	3.5306	2.4965		2.4965	2.4801
F11	3.1919	1.7654	2.9649	2.9649	4.1958	4.1958	4.7234	2.4965	3.5306	2.4965		2.4801
F12	4.4013	1.7218	4.7234	4.7234	4.7234	4.7234	6.1232	2.4801	2.4801	2.4801	2.4801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	F8	89.345	S1	S2	F9	89.345
S1	S2	F10	89.345	S1	S2	F11	89.345
S1	S2	F12	180.000	S2	S1	F3	89.345
S2	S1	F4	89.345	S2	S1	F5	89.345
S2	S1	F6	89.345	S2	S1	F7	180.000
F3	S1	F4	89.993	F3	S1	F5	178.690
F3	S1	F6	89.993	F3	S1	F7	90.655
F4	S1	F5	89.993	F4	S1	F6	178.690
F4	S1	F7	90.655	F5	S1	F6	89.993
F5	S1	F7	90.655	F6	S1	F7	90.655
F8	S2	F9	89.993	F8	S2	F10	178.690
F8	S2	F11	89.993	F8	S2	F12	90.655
F9	S2	F10	89.993	F9	S2	F11	178.690
F9	S2	F12	90.655	F10	S2	F11	89.993
F10	S2	F12	90.655	F11	S2	F12	90.655

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

using model chemistry: TPSSh/6-31G

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	1.491
2	S	1.491
3	F	-0.303
4	F	-0.303
5	F	-0.303
6	F	-0.303
7	F	-0.277
8	F	-0.303
9	F	-0.303
10	F	-0.303
11	F	-0.303
12	F	-0.277

<r²>	626.287
(<r²>)^1/2	25.026

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

using model chemistry: TPSSh/6-31G

States and conformations

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