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	hartrees
Energy at 0K	-1793.556649
Energy at 298.15K
HF Energy	-1793.556649
Nuclear repulsion energy	1322.540782

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	792	758	0.00
2	A₁	565	541	0.00
3	A₁	410	392	0.00
4	A₁	131	125	0.00
5	B₁	48	46	0.00
6	B₂	764	732	345.30
7	B₂	558	534	20.26
8	B₂	362	346	257.83
9	E₁	830	795	341.45
9	E₁	830	795	341.45
10	E₁	358	343	20.74
10	E₁	358	343	20.74
11	E₁	244	234	2.37
11	E₁	244	234	2.37
12	E₁	91	87	0.42
12	E₁	91	87	0.42
13	E₂	551	528	0.00
13	E₂	551	528	0.00
14	E₂	309	296	0.00
14	E₂	309	296	0.00
15	E₂	187	179	0.00
15	E₂	187	179	0.00
16	E₃	792	758	0.00
16	E₃	792	758	0.00
17	E₃	357	342	0.00
17	E₃	357	342	0.00
18	E₃	247	237	0.00
18	E₃	247	237	0.00
19	E₃	126	121	0.00
19	E₃	126	121	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.320
S2	0.000	0.000	-1.320
F3	0.000	1.753	1.303
F4	-1.753	0.000	1.303
F5	0.000	-1.753	1.303
F6	1.753	0.000	1.303
F7	0.000	0.000	3.033
F8	1.240	1.240	-1.303
F9	1.240	-1.240	-1.303
F10	-1.240	-1.240	-1.303
F11	-1.240	1.240	-1.303
F12	0.000	0.000	-3.033

	S1	S2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
S1		2.6391	1.7532	1.7532	1.7532	1.7532	1.7133	3.1547	3.1547	3.1547	3.1547	4.3525
S2	2.6391		3.1547	3.1547	3.1547	3.1547	4.3525	1.7532	1.7532	1.7532	1.7532	1.7133
F3	1.7532	3.1547		2.4792	3.5062	2.4792	2.4628	2.9315	4.1577	4.1577	2.9315	4.6771
F4	1.7532	3.1547	2.4792		2.4792	3.5062	2.4628	4.1577	4.1577	2.9315	2.9315	4.6771
F5	1.7532	3.1547	3.5062	2.4792		2.4792	2.4628	4.1577	2.9315	2.9315	4.1577	4.6771
F6	1.7532	3.1547	2.4792	3.5062	2.4792		2.4628	2.9315	2.9315	4.1577	4.1577	4.6771
F7	1.7133	4.3525	2.4628	2.4628	2.4628	2.4628		4.6771	4.6771	4.6771	4.6771	6.0658
F8	3.1547	1.7532	2.9315	4.1577	4.1577	2.9315	4.6771		2.4792	3.5062	2.4792	2.4628
F9	3.1547	1.7532	4.1577	4.1577	2.9315	2.9315	4.6771	2.4792		2.4792	3.5062	2.4628
F10	3.1547	1.7532	4.1577	2.9315	2.9315	4.1577	4.6771	3.5062	2.4792		2.4792	2.4628
F11	3.1547	1.7532	2.9315	2.9315	4.1577	4.1577	4.6771	2.4792	3.5062	2.4792		2.4628
F12	4.3525	1.7133	4.6771	4.6771	4.6771	4.6771	6.0658	2.4628	2.4628	2.4628	2.4628

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	F8	89.465	S1	S2	F9	89.465
S1	S2	F10	89.465	S1	S2	F11	89.465
S1	S2	F12	180.000	S2	S1	F3	89.465
S2	S1	F4	89.465	S2	S1	F5	89.465
S2	S1	F6	89.465	S2	S1	F7	180.000
F3	S1	F4	89.995	F3	S1	F5	178.930
F3	S1	F6	89.995	F3	S1	F7	90.535
F4	S1	F5	89.995	F4	S1	F6	178.930
F4	S1	F7	90.535	F5	S1	F6	89.995
F5	S1	F7	90.535	F6	S1	F7	90.535
F8	S2	F9	89.995	F8	S2	F10	178.930
F8	S2	F11	89.995	F8	S2	F12	90.535
F9	S2	F10	89.995	F9	S2	F11	178.930
F9	S2	F12	90.535	F10	S2	F11	89.995
F10	S2	F12	90.535	F11	S2	F12	90.535

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

using model chemistry: B3PW91/6-31G

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	1.538
2	S	1.538
3	F	-0.313
4	F	-0.313
5	F	-0.313
6	F	-0.313
7	F	-0.285
8	F	-0.313
9	F	-0.313
10	F	-0.313
11	F	-0.313
12	F	-0.285

<r²>	615.465
(<r²>)^1/2	24.809

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

using model chemistry: B3PW91/6-31G

States and conformations

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