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	hartrees
Energy at 0K	-1272.568556
Energy at 298.15K	-1272.574826
Nuclear repulsion energy	362.808983

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3155	3021	9.88
2	A	3144	3010	0.31
3	A	3054	2924	4.31
4	A	1506	1442	11.09
5	A	1491	1427	8.29
6	A	1413	1353	0.19
7	A	1021	978	4.30
8	A	1018	975	3.61
9	A	734	703	0.06
10	A	478	458	0.34
11	A	270	259	0.26
12	A	202	193	1.15
13	A	163	156	1.96
14	A	64	61	2.33
15	B	3155	3021	4.38
16	B	3143	3009	10.00
17	B	3054	2924	36.60
18	B	1505	1441	13.22
19	B	1491	1427	12.56
20	B	1415	1355	3.65
21	B	1021	978	1.77
22	B	1013	970	20.70
23	B	733	702	1.48
24	B	479	459	11.41
25	B	279	268	1.15
26	B	196	188	0.77
27	B	93	89	3.16

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.084
S2	0.000	1.667	-0.167
S3	0.000	-1.667	-0.167
C4	1.754	1.741	-0.631
C5	-1.754	-1.741	-0.631
H6	1.880	2.620	-1.270
H7	-1.880	-2.620	-1.270
H8	2.384	1.843	0.255
H9	2.040	0.848	-1.192
H10	-2.384	-1.843	0.255
H11	-2.040	-0.848	-1.192

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0841	2.0841	3.0075	3.0075	3.9926	3.9926	3.1253	3.1712	3.1253	3.1712
S2	2.0841		3.3337	1.8154	3.8604	2.3791	4.8094	2.4274	2.4250	4.2642	3.3959
S3	2.0841	3.3337		3.8604	1.8154	4.8094	2.3791	4.2642	3.3959	2.4274	2.4250
C4	3.0075	1.8154	3.8604		4.9419	1.0946	5.7124	1.0921	1.0928	5.5453	4.6263
C5	3.0075	3.8604	1.8154	4.9419		5.7124	1.0946	5.5453	4.6263	1.0921	1.0928
H6	3.9926	2.3791	4.8094	1.0946	5.7124		6.4500	1.7842	1.7814	6.3587	5.2342
H7	3.9926	4.8094	2.3791	5.7124	1.0946	6.4500		6.3587	5.2342	1.7842	1.7814
H8	3.1253	2.4274	4.2642	1.0921	5.5453	1.7842	6.3587		1.7900	6.0269	5.3761
H9	3.1712	2.4250	3.3959	1.0928	4.6263	1.7814	5.2342	1.7900		5.3761	4.4173
H10	3.1253	4.2642	2.4274	5.5453	1.0921	6.3587	1.7842	6.0269	5.3761		1.7900
H11	3.1712	3.3959	2.4250	4.6263	1.0928	5.2342	1.7814	5.3761	4.4173	1.7900

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	100.710	S1	S3	C5	100.710
S2	S1	S3	106.223	S2	C4	H6	107.073
S2	C4	H8	110.735	S2	C4	H9	110.519
S3	C5	H7	107.073	S3	C5	H10	110.735
S3	C5	H11	110.519	H6	C4	H8	109.366
H6	C4	H9	109.058	H7	C5	H10	109.366
H7	C5	H11	109.058	H8	C4	H9	110.023
H10	C5	H11	110.023

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)