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	hartrees
Energy at 0K	-1794.484577
Energy at 298.15K
HF Energy	-1794.484577
Nuclear repulsion energy	1459.137637

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	955	918	0.00
2	A₁	702	675	0.00
3	A₁	626	601	0.00
4	A₁	303	291	0.00
5	B₁	162	155	0.00
6	B₂	868	834	623.11
7	B₂	677	650	0.96
8	B₂	537	516	243.86
9	E₁	991	952	641.82
9	E₁	991	952	641.82
10	E₁	531	510	22.10
10	E₁	531	510	22.10
11	E₁	420	404	4.46
11	E₁	420	404	4.46
12	E₁	220	211	0.38
12	E₁	220	211	0.38
13	E₂	657	631	0.00
13	E₂	657	631	0.00
14	E₂	473	455	0.00
14	E₂	473	455	0.00
15	E₂	357	343	0.00
15	E₂	357	343	0.00
16	E₃	914	879	0.00
16	E₃	914	879	0.00
17	E₃	542	521	0.00
17	E₃	542	521	0.00
18	E₃	393	377	0.00
18	E₃	393	377	0.00
19	E₃	274	263	0.00
19	E₃	274	263	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.136
S2	0.000	0.000	-1.136
F3	0.000	1.613	1.137
F4	-1.613	0.000	1.137
F5	0.000	-1.613	1.137
F6	1.613	0.000	1.137
F7	0.000	0.000	2.732
F8	1.141	1.141	-1.137
F9	1.141	-1.141	-1.137
F10	-1.141	-1.141	-1.137
F11	-1.141	1.141	-1.137
F12	0.000	0.000	-2.732

	S1	S2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
S1		2.2728	1.6134	1.6134	1.6134	1.6134	1.5960	2.7879	2.7879	2.7879	2.7879	3.8689
S2	2.2728		2.7879	2.7879	2.7879	2.7879	3.8689	1.6134	1.6134	1.6134	1.6134	1.5960
F3	1.6134	2.7879		2.2817	3.2267	2.2817	2.2689	2.5880	3.7497	3.7497	2.5880	4.1925
F4	1.6134	2.7879	2.2817		2.2817	3.2267	2.2689	3.7497	3.7497	2.5880	2.5880	4.1925
F5	1.6134	2.7879	3.2267	2.2817		2.2817	2.2689	3.7497	2.5880	2.5880	3.7497	4.1925
F6	1.6134	2.7879	2.2817	3.2267	2.2817		2.2689	2.5880	2.5880	3.7497	3.7497	4.1925
F7	1.5960	3.8689	2.2689	2.2689	2.2689	2.2689		4.1925	4.1925	4.1925	4.1925	5.4649
F8	2.7879	1.6134	2.5880	3.7497	3.7497	2.5880	4.1925		2.2817	3.2267	2.2817	2.2689
F9	2.7879	1.6134	3.7497	3.7497	2.5880	2.5880	4.1925	2.2817		2.2817	3.2267	2.2689
F10	2.7879	1.6134	3.7497	2.5880	2.5880	3.7497	4.1925	3.2267	2.2817		2.2817	2.2689
F11	2.7879	1.6134	2.5880	2.5880	3.7497	3.7497	4.1925	2.2817	3.2267	2.2817		2.2689
F12	3.8689	1.5960	4.1925	4.1925	4.1925	4.1925	5.4649	2.2689	2.2689	2.2689	2.2689

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	F8	90.028	S1	S2	F9	90.028
S1	S2	F10	90.028	S1	S2	F11	90.028
S1	S2	F12	180.000	S2	S1	F3	90.028
S2	S1	F4	90.028	S2	S1	F5	90.028
S2	S1	F6	90.028	S2	S1	F7	180.000
F3	S1	F4	90.000	F3	S1	F5	179.943
F3	S1	F6	90.000	F3	S1	F7	89.972
F4	S1	F5	90.000	F4	S1	F6	179.943
F4	S1	F7	89.972	F5	S1	F6	90.000
F5	S1	F7	89.972	F6	S1	F7	89.972
F8	S2	F9	90.000	F8	S2	F10	179.943
F8	S2	F11	90.000	F8	S2	F12	89.972
F9	S2	F10	90.000	F9	S2	F11	179.943
F9	S2	F12	89.972	F10	S2	F11	90.000
F10	S2	F12	89.972	F11	S2	F12	89.972

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

using model chemistry: B1B95/cc-pVDZ

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	1.196
2	S	1.196
3	F	-0.243
4	F	-0.243
5	F	-0.243
6	F	-0.243
7	F	-0.223
8	F	-0.243
9	F	-0.243
10	F	-0.243
11	F	-0.243
12	F	-0.223

<r²>	503.776
(<r²>)^1/2	22.445

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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