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	hartrees
Energy at 0K	-1272.947243
Energy at 298.15K	-1272.953604
Nuclear repulsion energy	365.337986

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3203	3039	6.13
2	A	3193	3029	0.00
3	A	3092	2934	3.26
4	A	1486	1409	10.11
5	A	1469	1394	6.98
6	A	1402	1330	0.25
7	A	1017	965	4.66
8	A	1008	956	2.59
9	A	753	715	0.18
10	A	489	464	0.45
11	A	276	262	0.29
12	A	212	201	0.83
13	A	166	157	2.35
14	A	64	61	2.06
15	B	3203	3038	3.15
16	B	3192	3028	6.28
17	B	3092	2933	30.18
18	B	1484	1408	12.93
19	B	1469	1393	10.83
20	B	1404	1332	4.34
21	B	1017	964	1.77
22	B	1002	951	19.30
23	B	752	713	1.58
24	B	483	458	14.73
25	B	284	269	1.26
26	B	211	200	0.84
27	B	93	88	3.22

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.078
S2	0.000	1.657	-0.163
S3	0.000	-1.657	-0.163
C4	1.740	1.715	-0.633
C5	-1.740	-1.715	-0.633
H6	1.870	2.588	-1.276
H7	-1.870	-2.588	-1.276
H8	2.377	1.815	0.246
H9	2.016	0.819	-1.190
H10	-2.377	-1.815	0.246
H11	-2.016	-0.819	-1.190

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0700	2.0700	2.9819	2.9819	3.9665	3.9665	3.1035	3.1428	3.1035	3.1428
S2	2.0700		3.3143	1.8030	3.8231	2.3666	4.7703	2.4167	2.4128	4.2271	3.3539
S3	2.0700	3.3143		3.8231	1.8030	4.7703	2.3666	4.2271	3.3539	2.4167	2.4128
C4	2.9819	1.8030	3.8231		4.8854	1.0925	5.6528	1.0900	1.0908	5.4929	4.5642
C5	2.9819	3.8231	1.8030	4.8854		5.6528	1.0925	5.4929	4.5642	1.0900	1.0908
H6	3.9665	2.3666	4.7703	1.0925	5.6528		6.3853	1.7812	1.7774	6.3032	5.1680
H7	3.9665	4.7703	2.3666	5.6528	1.0925	6.3853		6.3032	5.1680	1.7812	1.7774
H8	3.1035	2.4167	4.2271	1.0900	5.4929	1.7812	6.3032		1.7850	5.9803	5.3189
H9	3.1428	2.4128	3.3539	1.0908	4.5642	1.7774	5.1680	1.7850		5.3189	4.3512
H10	3.1035	4.2271	2.4167	5.4929	1.0900	6.3032	1.7812	5.9803	5.3189		1.7850
H11	3.1428	3.3539	2.4128	4.5642	1.0908	5.1680	1.7774	5.3189	4.3512	1.7850

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	100.467	S1	S3	C5	100.467
S2	S1	S3	106.365	S2	C4	H6	107.073
S2	C4	H8	110.885	S2	C4	H9	110.556
S3	C5	H7	107.073	S3	C5	H10	110.885
S3	C5	H11	110.556	H6	C4	H8	109.398
H6	C4	H9	108.994	H7	C5	H10	109.398
H7	C5	H11	108.994	H8	C4	H9	109.870
H10	C5	H11	109.870

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

using model chemistry: MP2=FULL/6-311G**

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/6-311G**

States and conformations

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