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	hartrees
Energy at 0K	-1793.831749
Energy at 298.15K
HF Energy	-1793.831749
Nuclear repulsion energy	1432.688423

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	844	838	0.00
2	A₁	620	615	0.00
3	A₁	569	565	0.00
4	A₁	198	196	0.00
5	B₁	85	84	0.00
6	B₂	768	763	606.67
7	B₂	609	605	5.67
8	B₂	486	483	227.26
9	E₁	864	858	603.97
9	E₁	864	858	603.97
10	E₁	508	504	8.74
10	E₁	508	504	8.74
11	E₁	365	363	0.85
11	E₁	365	363	0.85
12	E₁	157	155	0.16
12	E₁	157	155	0.16
13	E₂	571	567	0.00
13	E₂	571	567	0.00
14	E₂	447	444	0.00
14	E₂	447	444	0.00
15	E₂	297	294	0.00
15	E₂	297	294	0.00
16	E₃	794	788	0.00
16	E₃	794	788	0.00
17	E₃	516	512	0.00
17	E₃	516	512	0.00
18	E₃	374	371	0.00
18	E₃	374	371	0.00
19	E₃	216	214	0.00
19	E₃	216	214	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.193
S2	0.000	0.000	-1.193
F3	0.000	1.626	1.193
F4	-1.626	0.000	1.193
F5	0.000	-1.626	1.193
F6	1.626	0.000	1.193
F7	0.000	0.000	2.794
F8	1.149	1.149	-1.193
F9	1.149	-1.149	-1.193
F10	-1.149	-1.149	-1.193
F11	-1.149	1.149	-1.193
F12	0.000	0.000	-2.794

	S1	S2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
S1		2.3869	1.6255	1.6255	1.6255	1.6255	1.6002	2.8877	2.8877	2.8877	2.8877	3.9871
S2	2.3869		2.8877	2.8877	2.8877	2.8877	3.9871	1.6255	1.6255	1.6255	1.6255	1.6002
F3	1.6255	2.8877		2.2988	3.2510	2.2988	2.2811	2.6914	3.8363	3.8363	2.6914	4.3056
F4	1.6255	2.8877	2.2988		2.2988	3.2510	2.2811	3.8363	3.8363	2.6914	2.6914	4.3056
F5	1.6255	2.8877	3.2510	2.2988		2.2988	2.2811	3.8363	2.6914	2.6914	3.8363	4.3056
F6	1.6255	2.8877	2.2988	3.2510	2.2988		2.2811	2.6914	2.6914	3.8363	3.8363	4.3056
F7	1.6002	3.9871	2.2811	2.2811	2.2811	2.2811		4.3056	4.3056	4.3056	4.3056	5.5873
F8	2.8877	1.6255	2.6914	3.8363	3.8363	2.6914	4.3056		2.2988	3.2510	2.2988	2.2811
F9	2.8877	1.6255	3.8363	3.8363	2.6914	2.6914	4.3056	2.2988		2.2988	3.2510	2.2811
F10	2.8877	1.6255	3.8363	2.6914	2.6914	3.8363	4.3056	3.2510	2.2988		2.2988	2.2811
F11	2.8877	1.6255	2.6914	2.6914	3.8363	3.8363	4.3056	2.2988	3.2510	2.2988		2.2811
F12	3.9871	1.6002	4.3056	4.3056	4.3056	4.3056	5.5873	2.2811	2.2811	2.2811	2.2811

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	F8	89.994	S1	S2	F9	89.994
S1	S2	F10	89.994	S1	S2	F11	89.994
S1	S2	F12	180.000	S2	S1	F3	89.994
S2	S1	F4	89.994	S2	S1	F5	89.994
S2	S1	F6	89.994	S2	S1	F7	180.000
F3	S1	F4	90.000	F3	S1	F5	179.989
F3	S1	F6	90.000	F3	S1	F7	90.006
F4	S1	F5	90.000	F4	S1	F6	179.989
F4	S1	F7	90.006	F5	S1	F6	90.000
F5	S1	F7	90.006	F6	S1	F7	90.006
F8	S2	F9	90.000	F8	S2	F10	179.989
F8	S2	F11	90.000	F8	S2	F12	90.006
F9	S2	F10	90.000	F9	S2	F11	179.989
F9	S2	F12	90.006	F10	S2	F11	90.000
F10	S2	F12	90.006	F11	S2	F12	90.006

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

using model chemistry: PBEPBEultrafine/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	0.873
2	S	0.873
3	F	-0.181
4	F	-0.181
5	F	-0.181
6	F	-0.181
7	F	-0.148
8	F	-0.181
9	F	-0.181
10	F	-0.181
11	F	-0.181
12	F	-0.148

<r²>	526.254
(<r²>)^1/2	22.940

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

using model chemistry: PBEPBEultrafine/cc-pVTZ

States and conformations

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