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	hartrees
Energy at 0K	-1272.700962
Energy at 298.15K	-1272.707211
Nuclear repulsion energy	365.062117

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3207	3038	3.14
2	A	3191	3024	0.17
3	A	3095	2933	3.05
4	A	1510	1431	5.76
5	A	1492	1414	6.90
6	A	1378	1306	0.60
7	A	997	945	0.64
8	A	994	942	3.01
9	A	731	693	0.10
10	A	509	482	0.16
11	A	272	258	0.16
12	A	189	179	1.56
13	A	158	149	0.95
14	A	61	58	2.11
15	B	3206	3038	1.87
16	B	3191	3023	3.17
17	B	3095	2932	20.69
18	B	1509	1430	9.07
19	B	1492	1413	6.93
20	B	1380	1308	10.15
21	B	997	944	3.30
22	B	990	937	11.29
23	B	730	691	1.19
24	B	512	485	12.20
25	B	279	264	0.73
26	B	179	169	0.54
27	B	95	90	3.54

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.089
S2	0.000	1.647	-0.154
S3	0.000	-1.647	-0.154
C4	1.744	1.721	-0.657
C5	-1.744	-1.721	-0.657
H6	1.841	2.581	-1.324
H7	-1.841	-2.581	-1.324
H8	2.387	1.855	0.212
H9	2.014	0.813	-1.196
H10	-2.387	-1.855	0.212
H11	-2.014	-0.813	-1.196

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0636	2.0636	3.0093	3.0093	3.9842	3.9842	3.1480	3.1530	3.1480	3.1530
S2	2.0636		3.2935	1.8169	3.8261	2.3729	4.7570	2.4240	2.4163	4.2539	3.3456
S3	2.0636	3.2935		3.8261	1.8169	4.7570	2.3729	4.2539	3.3456	2.4240	2.4163
C4	3.0093	1.8169	3.8261		4.9012	1.0920	5.6398	1.0892	1.0901	5.5331	4.5652
C5	3.0093	3.8261	1.8169	4.9012		5.6398	1.0920	5.5331	4.5652	1.0892	1.0901
H6	3.9842	2.3729	4.7570	1.0920	5.6398		6.3404	1.7840	1.7808	6.3178	5.1380
H7	3.9842	4.7570	2.3729	5.6398	1.0920	6.3404		6.3178	5.1380	1.7840	1.7808
H8	3.1480	2.4240	4.2539	1.0892	5.5331	1.7840	6.3178		1.7908	6.0465	5.3362
H9	3.1530	2.4163	3.3456	1.0901	4.5652	1.7808	5.1380	1.7908		5.3362	4.3446
H10	3.1480	4.2539	2.4240	5.5331	1.0892	6.3178	1.7840	6.0465	5.3362		1.7908
H11	3.1530	3.3456	2.4163	4.5652	1.0901	5.1380	1.7808	5.3362	4.3446	1.7908

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	101.511	S1	S3	C5	101.511
S2	S1	S3	105.882	S2	C4	H6	106.651
S2	C4	H8	110.531	S2	C4	H9	109.909
S3	C5	H7	106.651	S3	C5	H10	110.531
S3	C5	H11	109.909	H6	C4	H8	109.754
H6	C4	H9	109.392	H7	C5	H10	109.754
H7	C5	H11	109.392	H8	C4	H9	110.521
H10	C5	H11	110.521

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

using model chemistry: QCISD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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