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	hartrees
Energy at 0K	-1272.711640
Energy at 298.15K	-1272.717991
Nuclear repulsion energy	369.308959

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3240	3045	0.71
2	A	3224	3030	0.00
3	A	3116	2929	2.14
4	A	1517	1425	7.35
5	A	1498	1408	7.07
6	A	1368	1286	0.24
7	A	998	938	0.01
8	A	997	937	4.71
9	A	749	704	0.20
10	A	526	494	0.21
11	A	279	263	0.14
12	A	196	184	1.20
13	A	165	155	1.59
14	A	63	59	2.03
15	B	3240	3045	0.90
16	B	3223	3030	0.90
17	B	3116	2929	14.89
18	B	1515	1424	8.69
19	B	1498	1408	8.70
20	B	1370	1288	6.89
21	B	1000	940	2.30
22	B	989	930	15.70
23	B	748	703	1.32
24	B	519	488	15.05
25	B	284	267	0.76
26	B	192	181	0.71
27	B	100	94	4.14

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.093
S2	0.000	1.625	-0.146
S3	0.000	-1.625	-0.146
C4	1.723	1.655	-0.673
C5	-1.723	-1.655	-0.673
H6	1.829	2.490	-1.365
H7	-1.829	-2.490	-1.365
H8	2.384	1.799	0.178
H9	1.966	0.728	-1.189
H10	-2.384	-1.799	0.178
H11	-1.966	-0.728	-1.189

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0427	2.0427	2.9707	2.9707	3.9475	3.9475	3.1232	3.0983	3.1232	3.0983
S2	2.0427		3.2493	1.8025	3.7420	2.3624	4.6647	2.4120	2.3990	4.1841	3.2387
S3	2.0427	3.2493		3.7420	1.8025	4.6647	2.3624	4.1841	3.2387	2.4120	2.3990
C4	2.9707	1.8025	3.7420		4.7785	1.0895	5.5024	1.0866	1.0877	5.4332	4.4221
C5	2.9707	3.7420	1.8025	4.7785		5.5024	1.0895	5.4332	4.4221	1.0866	1.0877
H6	3.9475	2.3624	4.6647	1.0895	5.5024		6.1787	1.7791	1.7751	6.2064	4.9787
H7	3.9475	4.6647	2.3624	5.5024	1.0895	6.1787		6.2064	4.9787	1.7791	1.7751
H8	3.1232	2.4120	4.1841	1.0866	5.4332	1.7791	6.2064		1.7856	5.9726	5.2127
H9	3.0983	2.3990	3.2387	1.0877	4.4221	1.7751	4.9787	1.7856		5.2127	4.1925
H10	3.1232	4.1841	2.4120	5.4332	1.0866	6.2064	1.7791	5.9726	5.2127		1.7856
H11	3.0983	3.2387	2.3990	4.4221	1.0877	4.9787	1.7751	5.2127	4.1925	1.7856

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	100.988	S1	S3	C5	100.988
S2	S1	S3	105.375	S2	C4	H6	106.948
S2	C4	H8	110.755	S2	C4	H9	109.719
S3	C5	H7	106.948	S3	C5	H10	110.755
S3	C5	H11	109.719	H6	C4	H8	109.684
H6	C4	H9	109.239	H7	C5	H10	109.684
H7	C5	H11	109.239	H8	C4	H9	110.421
H10	C5	H11	110.421

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G(2df,p)

States and conformations

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