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	hartrees
Energy at 0K	-1793.759001
Energy at 298.15K
HF Energy	-1793.759001
Nuclear repulsion energy	1409.658653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	803	794	0.00
2	A₁	582	575	0.00
3	A₁	536	530	0.00
4	A₁	180	178	0.00
5	B₁	76	75	0.00
6	B₂	736	728	638.52
7	B₂	571	565	2.92
8	B₂	463	458	248.50
9	E₁	831	822	636.44
9	E₁	831	822	636.44
10	E₁	485	479	8.74
10	E₁	485	479	8.74
11	E₁	347	343	0.78
11	E₁	347	343	0.78
12	E₁	142	141	0.24
12	E₁	142	141	0.24
13	E₂	543	537	0.00
13	E₂	543	537	0.00
14	E₂	429	424	0.00
14	E₂	429	424	0.00
15	E₂	278	275	0.00
15	E₂	278	275	0.00
16	E₃	764	755	0.00
16	E₃	764	755	0.00
17	E₃	491	485	0.00
17	E₃	491	485	0.00
18	E₃	357	353	0.00
18	E₃	357	353	0.00
19	E₃	198	196	0.00
19	E₃	198	196	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.221
S2	0.000	0.000	-1.221
F3	0.000	1.648	1.218
F4	-1.648	0.000	1.218
F5	0.000	-1.648	1.218
F6	1.648	0.000	1.218
F7	0.000	0.000	2.844
F8	1.166	1.166	-1.218
F9	1.166	-1.166	-1.218
F10	-1.166	-1.166	-1.218
F11	-1.166	1.166	-1.218
F12	0.000	0.000	-2.844

	S1	S2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
S1		2.4424	1.6484	1.6484	1.6484	1.6484	1.6224	2.9441	2.9441	2.9441	2.9441	4.0647
S2	2.4424		2.9441	2.9441	2.9441	2.9441	4.0647	1.6484	1.6484	1.6484	1.6484	1.6224
F3	1.6484	2.9441		2.3312	3.2969	2.3312	2.3150	2.7436	3.9004	3.9004	2.7436	4.3835
F4	1.6484	2.9441	2.3312		2.3312	3.2969	2.3150	3.9004	3.9004	2.7436	2.7436	4.3835
F5	1.6484	2.9441	3.2969	2.3312		2.3312	2.3150	3.9004	2.7436	2.7436	3.9004	4.3835
F6	1.6484	2.9441	2.3312	3.2969	2.3312		2.3150	2.7436	2.7436	3.9004	3.9004	4.3835
F7	1.6224	4.0647	2.3150	2.3150	2.3150	2.3150		4.3835	4.3835	4.3835	4.3835	5.6871
F8	2.9441	1.6484	2.7436	3.9004	3.9004	2.7436	4.3835		2.3312	3.2969	2.3312	2.3150
F9	2.9441	1.6484	3.9004	3.9004	2.7436	2.7436	4.3835	2.3312		2.3312	3.2969	2.3150
F10	2.9441	1.6484	3.9004	2.7436	2.7436	3.9004	4.3835	3.2969	2.3312		2.3312	2.3150
F11	2.9441	1.6484	2.7436	2.7436	3.9004	3.9004	4.3835	2.3312	3.2969	2.3312		2.3150
F12	4.0647	1.6224	4.3835	4.3835	4.3835	4.3835	5.6871	2.3150	2.3150	2.3150	2.3150

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	F8	89.895	S1	S2	F9	89.895
S1	S2	F10	89.895	S1	S2	F11	89.895
S1	S2	F12	180.000	S2	S1	F3	89.895
S2	S1	F4	89.895	S2	S1	F5	89.895
S2	S1	F6	89.895	S2	S1	F7	180.000
F3	S1	F4	90.000	F3	S1	F5	179.790
F3	S1	F6	90.000	F3	S1	F7	90.105
F4	S1	F5	90.000	F4	S1	F6	179.790
F4	S1	F7	90.105	F5	S1	F6	90.000
F5	S1	F7	90.105	F6	S1	F7	90.105
F8	S2	F9	90.000	F8	S2	F10	179.790
F8	S2	F11	90.000	F8	S2	F12	90.105
F9	S2	F10	90.000	F9	S2	F11	179.790
F9	S2	F12	90.105	F10	S2	F11	90.000
F10	S2	F12	90.105	F11	S2	F12	90.105

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

using model chemistry: PBEPBE/TZVP

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	0.769
2	S	0.769
3	F	-0.156
4	F	-0.156
5	F	-0.156
6	F	-0.156
7	F	-0.144
8	F	-0.156
9	F	-0.156
10	F	-0.156
11	F	-0.156
12	F	-0.144

<r²>	544.741
(<r²>)^1/2	23.340

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

using model chemistry: PBEPBE/TZVP

States and conformations

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