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	hartrees
Energy at 0K	-258.171656
Energy at 298.15K
HF Energy	-258.171656
Nuclear repulsion energy	638.032978

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	1038	932	0.00	3.46	0.06	0.11
2	A₁	775	696	0.00	28.65	0.00	0.00
3	A₁	695	624	0.00	4.53	0.63	0.77
4	A₁	285	256	0.00	7.54	0.25	0.41
5	B₁	112	101	0.00	0.00	0.00	0.00
6	B₂	915	822	724.92	0.00	0.00	0.00
7	B₂	755	678	25.80	0.00	0.00	0.00
8	B₂	587	527	307.14	0.00	0.00	0.00
9	E₁	1065	956	817.92	0.00	0.00	0.00
9	E₁	1065	956	817.92	0.00	0.00	0.00
10	E₁	611	548	34.65	0.00	0.00	0.00
10	E₁	611	548	34.65	0.00	0.00	0.00
11	E₁	449	403	3.32	0.00	0.00	0.00
11	E₁	449	403	3.32	0.00	0.00	0.00
12	E₁	197	177	0.66	0.00	0.00	0.00
12	E₁	197	177	0.66	0.00	0.00	0.00
13	E₂	703	631	0.00	4.54	0.75	0.86
13	E₂	703	631	0.00	4.54	0.75	0.86
14	E₂	539	484	0.00	0.97	0.75	0.86
14	E₂	539	484	0.00	0.97	0.75	0.86
15	E₂	374	336	0.00	0.02	0.75	0.86
15	E₂	374	336	0.00	0.02	0.75	0.86
16	E₃	987	887	0.00	2.23	0.75	0.86
16	E₃	987	887	0.00	2.23	0.75	0.86
17	E₃	622	559	0.00	0.06	0.75	0.86
17	E₃	622	559	0.00	0.06	0.75	0.86
18	E₃	460	413	0.00	2.40	0.75	0.86
18	E₃	460	413	0.00	2.40	0.75	0.86
19	E₃	281	253	0.00	0.67	0.75	0.86
19	E₃	281	253	0.00	0.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.127
S2	0.000	0.000	-1.127
F3	0.000	1.572	1.139
F4	-1.572	0.000	1.139
F5	0.000	-1.572	1.139
F6	1.572	0.000	1.139
F7	0.000	0.000	2.690
F8	1.111	1.111	-1.139
F9	1.111	-1.111	-1.139
F10	-1.111	-1.111	-1.139
F11	-1.111	1.111	-1.139
F12	0.000	0.000	-2.690

	S1	S2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
S1		2.2545	1.5716	1.5716	1.5716	1.5716	1.5632	2.7581	2.7581	2.7581	2.7581	3.8177
S2	2.2545		2.7581	2.7581	2.7581	2.7581	3.8177	1.5716	1.5716	1.5716	1.5716	1.5632
F3	1.5716	2.7581		2.2226	3.1432	2.2226	2.2081	2.5766	3.6912	3.6912	2.5766	4.1397
F4	1.5716	2.7581	2.2226		2.2226	3.1432	2.2081	3.6912	3.6912	2.5766	2.5766	4.1397
F5	1.5716	2.7581	3.1432	2.2226		2.2226	2.2081	3.6912	2.5766	2.5766	3.6912	4.1397
F6	1.5716	2.7581	2.2226	3.1432	2.2226		2.2081	2.5766	2.5766	3.6912	3.6912	4.1397
F7	1.5632	3.8177	2.2081	2.2081	2.2081	2.2081		4.1397	4.1397	4.1397	4.1397	5.3808
F8	2.7581	1.5716	2.5766	3.6912	3.6912	2.5766	4.1397		2.2226	3.1432	2.2226	2.2081
F9	2.7581	1.5716	3.6912	3.6912	2.5766	2.5766	4.1397	2.2226		2.2226	3.1432	2.2081
F10	2.7581	1.5716	3.6912	2.5766	2.5766	3.6912	4.1397	3.1432	2.2226		2.2226	2.2081
F11	2.7581	1.5716	2.5766	2.5766	3.6912	3.6912	4.1397	2.2226	3.1432	2.2226		2.2081
F12	3.8177	1.5632	4.1397	4.1397	4.1397	4.1397	5.3808	2.2081	2.2081	2.2081	2.2081

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	F8	90.440	S1	S2	F9	90.440
S1	S2	F10	90.440	S1	S2	F11	90.440
S1	S2	F12	180.000	S2	S1	F3	90.440
S2	S1	F4	90.440	S2	S1	F5	90.440
S2	S1	F6	90.440	S2	S1	F7	180.000
F3	S1	F4	89.997	F3	S1	F5	179.120
F3	S1	F6	89.997	F3	S1	F7	89.560
F4	S1	F5	89.997	F4	S1	F6	179.120
F4	S1	F7	89.560	F5	S1	F6	89.997
F5	S1	F7	89.560	F6	S1	F7	89.560
F8	S2	F9	89.997	F8	S2	F10	179.120
F8	S2	F11	89.997	F8	S2	F12	89.560
F9	S2	F10	89.997	F9	S2	F11	179.120
F9	S2	F12	89.560	F10	S2	F11	89.997
F10	S2	F12	89.560	F11	S2	F12	89.560

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

using model chemistry: HF/CEP-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	1.081
2	S	1.081
3	F	-0.220
4	F	-0.220
5	F	-0.220
6	F	-0.220
7	F	-0.199
8	F	-0.220
9	F	-0.220
10	F	-0.220
11	F	-0.220
12	F	-0.199

<r²>	375.349
(<r²>)^1/2	19.374

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

using model chemistry: HF/CEP-31G*

States and conformations

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