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	hartrees
Energy at 0K	-1769.800027
Energy at 298.15K
HF Energy	-1769.800027
Nuclear repulsion energy	1330.151017

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	863	761	0.00
2	A₁	619	546	0.00
3	A₁	451	398	0.00
4	A₁	140	124	0.00
5	B₁	21	19	0.00
6	B₂	789	696	299.37
7	B₂	614	541	1.84
8	B₂	383	338	188.38
9	E₁	931	821	235.29
9	E₁	931	821	235.29
10	E₁	372	328	17.51
10	E₁	372	328	17.51
11	E₁	248	219	1.55
11	E₁	248	219	1.55
12	E₁	69	61	0.63
12	E₁	69	61	0.63
13	E₂	598	528	0.00
13	E₂	598	528	0.00
14	E₂	313	276	0.00
14	E₂	313	276	0.00
15	E₂	208	184	0.00
15	E₂	208	184	0.00
16	E₃	921	813	0.00
16	E₃	921	813	0.00
17	E₃	376	331	0.00
17	E₃	376	331	0.00
18	E₃	262	231	0.00
18	E₃	262	231	0.00
19	E₃	131	116	0.00
19	E₃	131	116	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.279
S2	0.000	0.000	-1.279
F3	0.000	1.737	1.336
F4	-1.737	0.000	1.336
F5	0.000	-1.737	1.336
F6	1.737	0.000	1.336
F7	0.000	0.000	3.007
F8	1.228	1.228	-1.336
F9	1.228	-1.228	-1.336
F10	-1.228	-1.228	-1.336
F11	-1.228	1.228	-1.336
F12	0.000	0.000	-3.007

	S1	S2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
S1		2.5580	1.7383	1.7383	1.7383	1.7383	1.7283	3.1394	3.1394	3.1394	3.1394	4.2863
S2	2.5580		3.1394	3.1394	3.1394	3.1394	4.2863	1.7383	1.7383	1.7383	1.7383	1.7283
F3	1.7383	3.1394		2.4570	3.4747	2.4570	2.4108	2.9844	4.1766	4.1766	2.9844	4.6778
F4	1.7383	3.1394	2.4570		2.4570	3.4747	2.4108	4.1766	4.1766	2.9844	2.9844	4.6778
F5	1.7383	3.1394	3.4747	2.4570		2.4570	2.4108	4.1766	2.9844	2.9844	4.1766	4.6778
F6	1.7383	3.1394	2.4570	3.4747	2.4570		2.4108	2.9844	2.9844	4.1766	4.1766	4.6778
F7	1.7283	4.2863	2.4108	2.4108	2.4108	2.4108		4.6778	4.6778	4.6778	4.6778	6.0146
F8	3.1394	1.7383	2.9844	4.1766	4.1766	2.9844	4.6778		2.4570	3.4747	2.4570	2.4108
F9	3.1394	1.7383	4.1766	4.1766	2.9844	2.9844	4.6778	2.4570		2.4570	3.4747	2.4108
F10	3.1394	1.7383	4.1766	2.9844	2.9844	4.1766	4.6778	3.4747	2.4570		2.4570	2.4108
F11	3.1394	1.7383	2.9844	2.9844	4.1766	4.1766	4.6778	2.4570	3.4747	2.4570		2.4108
F12	4.2863	1.7283	4.6778	4.6778	4.6778	4.6778	6.0146	2.4108	2.4108	2.4108	2.4108

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	F8	91.875	S1	S2	F9	91.875
S1	S2	F10	91.875	S1	S2	F11	91.875
S1	S2	F12	180.000	S2	S1	F3	91.875
S2	S1	F4	91.875	S2	S1	F5	91.875
S2	S1	F6	91.875	S2	S1	F7	180.000
F3	S1	F4	89.939	F3	S1	F5	176.250
F3	S1	F6	89.939	F3	S1	F7	88.125
F4	S1	F5	89.939	F4	S1	F6	176.250
F4	S1	F7	88.125	F5	S1	F6	89.939
F5	S1	F7	88.125	F6	S1	F7	88.125
F8	S2	F9	89.939	F8	S2	F10	176.250
F8	S2	F11	89.939	F8	S2	F12	88.125
F9	S2	F10	89.939	F9	S2	F11	176.250
F9	S2	F12	88.125	F10	S2	F11	89.939
F10	S2	F12	88.125	F11	S2	F12	88.125

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

using model chemistry: PBE1PBE/STO-3G

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	0.851
2	S	0.851
3	F	-0.173
4	F	-0.173
5	F	-0.173
6	F	-0.173
7	F	-0.158
8	F	-0.173
9	F	-0.173
10	F	-0.173
11	F	-0.173
12	F	-0.158

<r²>	603.401
(<r²>)^1/2	24.564

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

using model chemistry: PBE1PBE/STO-3G

States and conformations

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