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	hartrees
Energy at 0K	-1794.845803
Energy at 298.15K
HF Energy	-1794.845803
Nuclear repulsion energy	1438.298658

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	857	828	0.00
2	A₁	620	599	0.00
3	A₁	577	557	0.00
4	A₁	213	206	0.00
5	B₁	91	88	0.00
6	B₂	771	745	638.85
7	B₂	610	590	8.51
8	B₂	493	476	281.36
9	E₁	867	837	639.60
9	E₁	867	837	639.60
10	E₁	511	494	17.56
10	E₁	511	494	17.56
11	E₁	370	357	1.94
11	E₁	370	357	1.94
12	E₁	160	154	0.38
12	E₁	160	154	0.38
13	E₂	576	556	0.00
13	E₂	576	556	0.00
14	E₂	449	434	0.00
14	E₂	449	434	0.00
15	E₂	301	290	0.00
15	E₂	301	290	0.00
16	E₃	793	766	0.00
16	E₃	793	766	0.00
17	E₃	519	501	0.00
17	E₃	519	501	0.00
18	E₃	377	364	0.00
18	E₃	377	364	0.00
19	E₃	222	214	0.00
19	E₃	222	214	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.183
S2	0.000	0.000	-1.183
F3	0.000	1.623	1.180
F4	-1.623	0.000	1.180
F5	0.000	-1.623	1.180
F6	1.623	0.000	1.180
F7	0.000	0.000	2.780
F8	1.148	1.148	-1.180
F9	1.148	-1.148	-1.180
F10	-1.148	-1.148	-1.180
F11	-1.148	1.148	-1.180
F12	0.000	0.000	-2.780

	S1	S2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
S1		2.3652	1.6230	1.6230	1.6230	1.6230	1.5978	2.8665	2.8665	2.8665	2.8665	3.9630
S2	2.3652		2.8665	2.8665	2.8665	2.8665	3.9630	1.6230	1.6230	1.6230	1.6230	1.5978
F3	1.6230	2.8665		2.2953	3.2460	2.2953	2.2792	2.6672	3.8164	3.8164	2.6672	4.2802
F4	1.6230	2.8665	2.2953		2.2953	3.2460	2.2792	3.8164	3.8164	2.6672	2.6672	4.2802
F5	1.6230	2.8665	3.2460	2.2953		2.2953	2.2792	3.8164	2.6672	2.6672	3.8164	4.2802
F6	1.6230	2.8665	2.2953	3.2460	2.2953		2.2792	2.6672	2.6672	3.8164	3.8164	4.2802
F7	1.5978	3.9630	2.2792	2.2792	2.2792	2.2792		4.2802	4.2802	4.2802	4.2802	5.5608
F8	2.8665	1.6230	2.6672	3.8164	3.8164	2.6672	4.2802		2.2953	3.2460	2.2953	2.2792
F9	2.8665	1.6230	3.8164	3.8164	2.6672	2.6672	4.2802	2.2953		2.2953	3.2460	2.2792
F10	2.8665	1.6230	3.8164	2.6672	2.6672	3.8164	4.2802	3.2460	2.2953		2.2953	2.2792
F11	2.8665	1.6230	2.6672	2.6672	3.8164	3.8164	4.2802	2.2953	3.2460	2.2953		2.2792
F12	3.9630	1.5978	4.2802	4.2802	4.2802	4.2802	5.5608	2.2792	2.2792	2.2792	2.2792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	F8	89.915	S1	S2	F9	89.915
S1	S2	F10	89.915	S1	S2	F11	89.915
S1	S2	F12	180.000	S2	S1	F3	89.915
S2	S1	F4	89.915	S2	S1	F5	89.915
S2	S1	F6	89.915	S2	S1	F7	180.000
F3	S1	F4	90.000	F3	S1	F5	179.829
F3	S1	F6	90.000	F3	S1	F7	90.085
F4	S1	F5	90.000	F4	S1	F6	179.829
F4	S1	F7	90.085	F5	S1	F6	90.000
F5	S1	F7	90.085	F6	S1	F7	90.085
F8	S2	F9	90.000	F8	S2	F10	179.829
F8	S2	F11	90.000	F8	S2	F12	90.085
F9	S2	F10	90.000	F9	S2	F11	179.829
F9	S2	F12	90.085	F10	S2	F11	90.000
F10	S2	F12	90.085	F11	S2	F12	90.085

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

using model chemistry: B3LYPultrafine/6-311G*

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	1.358
2	S	1.358
3	F	-0.277
4	F	-0.277
5	F	-0.277
6	F	-0.277
7	F	-0.248
8	F	-0.277
9	F	-0.277
10	F	-0.277
11	F	-0.277
12	F	-0.248

<r²>	523.024
(<r²>)^1/2	22.870

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

using model chemistry: B3LYPultrafine/6-311G*

States and conformations

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