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	hartrees
Energy at 0K	-1272.615478
Energy at 298.15K	-1272.621779
Nuclear repulsion energy	362.984668

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3169	3024	10.95
2	A	3159	3014	0.17
3	A	3070	2929	4.25
4	A	1491	1423	8.24
5	A	1475	1407	6.23
6	A	1405	1341	0.67
7	A	1015	968	3.44
8	A	1008	962	2.32
9	A	738	704	0.06
10	A	479	457	0.34
11	A	271	259	0.28
12	A	205	196	0.93
13	A	164	157	1.92
14	A	63	60	2.05
15	B	3169	3024	4.23
16	B	3159	3014	11.34
17	B	3070	2929	36.77
18	B	1490	1421	11.96
19	B	1475	1407	8.85
20	B	1407	1343	8.84
21	B	1014	968	1.28
22	B	1003	957	16.72
23	B	737	703	1.34
24	B	480	458	11.26
25	B	281	268	1.21
26	B	202	192	0.69
27	B	92	88	2.79

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.082
S2	0.000	1.666	-0.170
S3	0.000	-1.666	-0.170
C4	1.754	1.741	-0.625
C5	-1.754	-1.741	-0.625
H6	1.880	2.618	-1.268
H7	-1.880	-2.618	-1.268
H8	2.381	1.847	0.262
H9	2.044	0.846	-1.181
H10	-2.381	-1.847	0.262
H11	-2.044	-0.846	-1.181

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0838	2.0838	3.0036	3.0036	3.9885	3.9885	3.1230	3.1644	3.1230	3.1644
S2	2.0838		3.3326	1.8137	3.8592	2.3761	4.8057	2.4265	2.4234	4.2663	3.3928
S3	2.0838	3.3326		3.8592	1.8137	4.8057	2.3761	4.2663	3.3928	2.4265	2.4234
C4	3.0036	1.8137	3.8592		4.9425	1.0944	5.7112	1.0920	1.0927	5.5462	4.6284
C5	3.0036	3.8592	1.8137	4.9425		5.7112	1.0944	5.5462	4.6284	1.0920	1.0927
H6	3.9885	2.3761	4.8057	1.0944	5.7112		6.4461	1.7848	1.7816	6.3589	5.2345
H7	3.9885	4.8057	2.3761	5.7112	1.0944	6.4461		6.3589	5.2345	1.7848	1.7816
H8	3.1230	2.4265	4.2663	1.0920	5.5462	1.7848	6.3589		1.7890	6.0271	5.3772
H9	3.1644	2.4234	3.3928	1.0927	4.6284	1.7816	5.2345	1.7890		5.3772	4.4235
H10	3.1230	4.2663	2.4265	5.5462	1.0920	6.3589	1.7848	6.0271	5.3772		1.7890
H11	3.1644	3.3928	2.4234	4.6284	1.0927	5.2345	1.7816	5.3772	4.4235	1.7890

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	100.593	S1	S3	C5	100.593
S2	S1	S3	106.190	S2	C4	H6	106.971
S2	C4	H8	110.789	S2	C4	H9	110.517
S3	C5	H7	106.971	S3	C5	H10	110.789
S3	C5	H11	110.517	H6	C4	H8	109.442
H6	C4	H9	109.101	H7	C5	H10	109.442
H7	C5	H11	109.101	H8	C4	H9	109.956
H10	C5	H11	109.956

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

using model chemistry: QCISD/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: QCISD/6-311G**

States and conformations

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