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	hartrees
Energy at 0K	-1793.779446
Energy at 298.15K
HF Energy	-1793.779446
Nuclear repulsion energy	1335.059383

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	813	769	0.00
2	A₁	578	547	0.00
3	A₁	426	403	0.00
4	A₁	146	138	0.00
5	B₁	54	51	0.00
6	B₂	781	739	357.33
7	B₂	569	539	18.01
8	B₂	371	351	275.70
9	E₁	851	806	350.47
9	E₁	851	806	350.47
10	E₁	367	347	23.29
10	E₁	367	347	23.29
11	E₁	251	238	2.74
11	E₁	251	238	2.74
12	E₁	98	93	0.50
12	E₁	98	93	0.50
13	E₂	565	535	0.00
13	E₂	565	535	0.00
14	E₂	316	299	0.00
14	E₂	316	299	0.00
15	E₂	197	187	0.00
15	E₂	197	187	0.00
16	E₃	810	767	0.00
16	E₃	810	767	0.00
17	E₃	366	347	0.00
17	E₃	366	347	0.00
18	E₃	255	241	0.00
18	E₃	255	241	0.00
19	E₃	135	128	0.00
19	E₃	135	128	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.293
S2	0.000	0.000	-1.293
F3	0.000	1.743	1.278
F4	-1.743	0.000	1.278
F5	0.000	-1.743	1.278
F6	1.743	0.000	1.278
F7	0.000	0.000	2.999
F8	1.233	1.233	-1.278
F9	1.233	-1.233	-1.278
F10	-1.233	-1.233	-1.278
F11	-1.233	1.233	-1.278
F12	0.000	0.000	-2.999

	S1	S2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
S1		2.5853	1.7435	1.7435	1.7435	1.7435	1.7066	3.1058	3.1058	3.1058	3.1058	4.2919
S2	2.5853		3.1058	3.1058	3.1058	3.1058	4.2919	1.7435	1.7435	1.7435	1.7435	1.7066
F3	1.7435	3.1058		2.4656	3.4869	2.4656	2.4502	2.8828	4.1120	4.1120	2.8828	4.6186
F4	1.7435	3.1058	2.4656		2.4656	3.4869	2.4502	4.1120	4.1120	2.8828	2.8828	4.6186
F5	1.7435	3.1058	3.4869	2.4656		2.4656	2.4502	4.1120	2.8828	2.8828	4.1120	4.6186
F6	1.7435	3.1058	2.4656	3.4869	2.4656		2.4502	2.8828	2.8828	4.1120	4.1120	4.6186
F7	1.7066	4.2919	2.4502	2.4502	2.4502	2.4502		4.6186	4.6186	4.6186	4.6186	5.9985
F8	3.1058	1.7435	2.8828	4.1120	4.1120	2.8828	4.6186		2.4656	3.4869	2.4656	2.4502
F9	3.1058	1.7435	4.1120	4.1120	2.8828	2.8828	4.6186	2.4656		2.4656	3.4869	2.4502
F10	3.1058	1.7435	4.1120	2.8828	2.8828	4.1120	4.6186	3.4869	2.4656		2.4656	2.4502
F11	3.1058	1.7435	2.8828	2.8828	4.1120	4.1120	4.6186	2.4656	3.4869	2.4656		2.4502
F12	4.2919	1.7066	4.6186	4.6186	4.6186	4.6186	5.9985	2.4502	2.4502	2.4502	2.4502

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	F8	89.509	S1	S2	F9	89.509
S1	S2	F10	89.509	S1	S2	F11	89.509
S1	S2	F12	180.000	S2	S1	F3	89.509
S2	S1	F4	89.509	S2	S1	F5	89.509
S2	S1	F6	89.509	S2	S1	F7	180.000
F3	S1	F4	89.996	F3	S1	F5	179.018
F3	S1	F6	89.996	F3	S1	F7	90.491
F4	S1	F5	89.996	F4	S1	F6	179.018
F4	S1	F7	90.491	F5	S1	F6	89.996
F5	S1	F7	90.491	F6	S1	F7	90.491
F8	S2	F9	89.996	F8	S2	F10	179.018
F8	S2	F11	89.996	F8	S2	F12	90.491
F9	S2	F10	89.996	F9	S2	F11	179.018
F9	S2	F12	90.491	F10	S2	F11	89.996
F10	S2	F12	90.491	F11	S2	F12	90.491

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

using model chemistry: mPW1PW91/6-31G

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	1.572
2	S	1.572
3	F	-0.320
4	F	-0.320
5	F	-0.320
6	F	-0.320
7	F	-0.291
8	F	-0.320
9	F	-0.320
10	F	-0.320
11	F	-0.320
12	F	-0.291

<r²>	602.509
(<r²>)^1/2	24.546

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

using model chemistry: mPW1PW91/6-31G

States and conformations

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