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	hartrees
Energy at 0K	-257.474527
Energy at 298.15K
HF Energy	-257.474527
Nuclear repulsion energy	583.462852

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	874	798	0.00	3.14	0.19	0.32
2	A₁	613	559	0.00	141.93	0.00	0.00
3	A₁	506	462	0.00	34.72	0.33	0.50
4	A₁	193	176	0.00	71.93	0.27	0.42
5	B₁	78	71	0.00	0.00	0.00	0.00
6	B₂	814	743	581.10	0.00	0.75	0.86
7	B₂	598	545	14.73	0.00	0.75	0.86
8	B₂	414	378	534.55	0.00	0.75	0.86
9	E₁	922	841	533.73	0.00	0.75	0.86
9	E₁	922	841	533.73	0.00	0.74	0.85
10	E₁	422	385	41.24	0.00	0.00	0.00
10	E₁	422	385	41.24	0.00	0.75	0.86
11	E₁	307	280	3.70	0.00	0.54	0.70
11	E₁	307	280	3.70	0.00	0.75	0.86
12	E₁	130	119	0.69	0.00	0.26	0.41
12	E₁	130	119	0.69	0.00	0.00	0.00
13	E₂	610	556	0.00	21.50	0.75	0.86
13	E₂	610	556	0.00	21.50	0.75	0.86
14	E₂	369	337	0.00	3.77	0.75	0.86
14	E₂	369	337	0.00	3.77	0.75	0.86
15	E₂	253	231	0.00	0.07	0.75	0.86
15	E₂	253	231	0.00	0.07	0.75	0.86
16	E₃	866	790	0.00	69.73	0.75	0.86
16	E₃	866	790	0.00	69.73	0.75	0.86
17	E₃	427	390	0.00	0.00	0.75	0.86
17	E₃	427	390	0.00	0.00	0.75	0.86
18	E₃	309	282	0.00	12.87	0.75	0.86
18	E₃	309	282	0.00	12.87	0.75	0.86
19	E₃	182	166	0.00	2.92	0.75	0.86
19	E₃	182	166	0.00	2.92	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.251
S2	0.000	0.000	-1.251
F3	0.000	1.717	1.249
F4	-1.717	0.000	1.249
F5	0.000	-1.717	1.249
F6	1.717	0.000	1.249
F7	0.000	0.000	2.939
F8	1.214	1.214	-1.249
F9	1.214	-1.214	-1.249
F10	-1.214	-1.214	-1.249
F11	-1.214	1.214	-1.249
F12	0.000	0.000	-2.939

	S1	S2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
S1		2.5014	1.7175	1.7175	1.7175	1.7175	1.6887	3.0329	3.0329	3.0329	3.0329	4.1901
S2	2.5014		3.0329	3.0329	3.0329	3.0329	4.1901	1.7175	1.7175	1.7175	1.7175	1.6887
F3	1.7175	3.0329		2.4288	3.4349	2.4288	2.4098	2.8229	4.0387	4.0387	2.8229	4.5269
F4	1.7175	3.0329	2.4288		2.4288	3.4349	2.4098	4.0387	4.0387	2.8229	2.8229	4.5269
F5	1.7175	3.0329	3.4349	2.4288		2.4288	2.4098	4.0387	2.8229	2.8229	4.0387	4.5269
F6	1.7175	3.0329	2.4288	3.4349	2.4288		2.4098	2.8229	2.8229	4.0387	4.0387	4.5269
F7	1.6887	4.1901	2.4098	2.4098	2.4098	2.4098		4.5269	4.5269	4.5269	4.5269	5.8788
F8	3.0329	1.7175	2.8229	4.0387	4.0387	2.8229	4.5269		2.4288	3.4349	2.4288	2.4098
F9	3.0329	1.7175	4.0387	4.0387	2.8229	2.8229	4.5269	2.4288		2.4288	3.4349	2.4098
F10	3.0329	1.7175	4.0387	2.8229	2.8229	4.0387	4.5269	3.4349	2.4288		2.4288	2.4098
F11	3.0329	1.7175	2.8229	2.8229	4.0387	4.0387	4.5269	2.4288	3.4349	2.4288		2.4098
F12	4.1901	1.6887	4.5269	4.5269	4.5269	4.5269	5.8788	2.4098	2.4098	2.4098	2.4098

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	F8	89.946	S1	S2	F9	89.946
S1	S2	F10	89.946	S1	S2	F11	89.946
S1	S2	F12	180.000	S2	S1	F3	89.946
S2	S1	F4	89.946	S2	S1	F5	89.946
S2	S1	F6	89.946	S2	S1	F7	180.000
F3	S1	F4	90.000	F3	S1	F5	179.893
F3	S1	F6	90.000	F3	S1	F7	90.054
F4	S1	F5	90.000	F4	S1	F6	179.893
F4	S1	F7	90.054	F5	S1	F6	90.000
F5	S1	F7	90.054	F6	S1	F7	90.054
F8	S2	F9	90.000	F8	S2	F10	179.893
F8	S2	F11	90.000	F8	S2	F12	90.054
F9	S2	F10	90.000	F9	S2	F11	179.893
F9	S2	F12	90.054	F10	S2	F11	90.000
F10	S2	F12	90.054	F11	S2	F12	90.054

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

using model chemistry: HF/CEP-121G

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	1.598
2	S	1.598
3	F	-0.330
4	F	-0.330
5	F	-0.330
6	F	-0.330
7	F	-0.279
8	F	-0.330
9	F	-0.330
10	F	-0.330
11	F	-0.330
12	F	-0.279

<r²>	445.344
(<r²>)^1/2	21.103

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

using model chemistry: HF/CEP-121G

States and conformations

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