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	hartrees
Energy at 0K	-1272.478729
Energy at 298.15K	-1272.485049
Nuclear repulsion energy	365.637164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3264	3049	5.17
2	A	3251	3038	0.00
3	A	3141	2935	2.85
4	A	1541	1440	6.99
5	A	1518	1418	7.94
6	A	1424	1330	0.26
7	A	1030	962	1.20
8	A	1026	958	3.47
9	A	753	703	0.14
10	A	506	473	0.51
11	A	276	258	0.51
12	A	196	183	1.50
13	A	162	151	1.52
14	A	63	59	2.20
15	B	3263	3049	2.89
16	B	3251	3037	4.75
17	B	3141	2935	24.59
18	B	1539	1438	12.54
19	B	1517	1417	7.99
20	B	1427	1333	6.35
21	B	1030	962	1.41
22	B	1021	954	16.57
23	B	752	702	0.99
24	B	504	471	14.03
25	B	281	262	1.26
26	B	189	176	0.74
27	B	96	90	3.66

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.080
S2	0.000	1.652	-0.153
S3	0.000	-1.652	-0.153
C4	1.736	1.723	-0.650
C5	-1.736	-1.723	-0.650
H6	1.844	2.589	-1.300
H7	-1.844	-2.589	-1.300
H8	2.382	1.839	0.215
H9	2.010	0.829	-1.203
H10	-2.382	-1.839	0.215
H11	-2.010	-0.829	-1.203

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0618	2.0618	2.9964	2.9964	3.9707	3.9707	3.1313	3.1527	3.1313	3.1527
S2	2.0618		3.3042	1.8074	3.8283	2.3648	4.7644	2.4175	2.4118	4.2424	3.3613
S3	2.0618	3.3042		3.8283	1.8074	4.7644	2.3648	4.2424	3.3613	2.4175	2.4118
C4	2.9964	1.8074	3.8283		4.8929	1.0876	5.6423	1.0853	1.0862	5.5136	4.5666
C5	2.9964	3.8283	1.8074	4.8929		5.6423	1.0876	5.5136	4.5666	1.0853	1.0862
H6	3.9707	2.3648	4.7644	1.0876	5.6423		6.3565	1.7737	1.7698	6.3054	5.1519
H7	3.9707	4.7644	2.3648	5.6423	1.0876	6.3565		6.3054	5.1519	1.7737	1.7698
H8	3.1313	2.4175	4.2424	1.0853	5.5136	1.7737	6.3054		1.7800	6.0186	5.3307
H9	3.1527	2.4118	3.3613	1.0862	4.5666	1.7698	5.1519	1.7800		5.3307	4.3479
H10	3.1313	4.2424	2.4175	5.5136	1.0853	6.3054	1.7737	6.0186	5.3307		1.7800
H11	3.1527	3.3613	2.4118	4.5666	1.0862	5.1519	1.7698	5.3307	4.3479	1.7800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	101.306	S1	S3	C5	101.306
S2	S1	S3	106.510	S2	C4	H6	106.897
S2	C4	H8	110.902	S2	C4	H9	110.431
S3	C5	H7	106.897	S3	C5	H10	110.902
S3	C5	H11	110.431	H6	C4	H8	109.426
H6	C4	H9	109.003	H7	C5	H10	109.426
H7	C5	H11	109.003	H8	C4	H9	110.106
H10	C5	H11	110.106

All results from a given calculation for CH₃SSSCH₃ (dimethyl trisulfide)

using model chemistry: MP2=FULL/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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All results from a given calculation for CH3SSSCH3 (dimethyl trisulfide)

using model chemistry: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for CH₃SSSCH₃ (dimethyl trisulfide)