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	hartrees
Energy at 0K	-1272.630612
Energy at 298.15K	-1272.636895
Nuclear repulsion energy	367.540696

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3233	3054	0.76
2	A	3217	3038	0.00
3	A	3108	2935	2.10
4	A	1505	1421	6.76
5	A	1486	1403	7.40
6	A	1364	1288	0.32
7	A	994	938	0.20
8	A	992	937	4.33
9	A	738	697	0.16
10	A	519	490	0.21
11	A	276	260	0.14
12	A	191	180	1.39
13	A	160	151	1.37
14	A	62	59	2.06
15	B	3233	3053	0.89
16	B	3216	3038	0.94
17	B	3108	2935	14.56
18	B	1503	1420	9.30
19	B	1485	1403	7.97
20	B	1366	1290	7.54
21	B	994	939	2.25
22	B	986	931	14.98
23	B	736	695	1.32
24	B	512	484	15.18
25	B	280	264	0.73
26	B	185	174	0.70
27	B	96	91	4.08

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.094
S2	0.000	1.634	-0.146
S3	0.000	-1.634	-0.146
C4	1.731	1.673	-0.674
C5	-1.731	-1.673	-0.674
H6	1.832	2.520	-1.355
H7	-1.832	-2.520	-1.355
H8	2.389	1.807	0.183
H9	1.974	0.752	-1.203
H10	-2.389	-1.807	0.183
H11	-1.974	-0.752	-1.203

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0514	2.0514	2.9872	2.9872	3.9628	3.9628	3.1307	3.1210	3.1307	3.1210
S2	2.0514		3.2685	1.8106	3.7701	2.3669	4.6984	2.4172	2.4070	4.2019	3.2724
S3	2.0514	3.2685		3.7701	1.8106	4.6984	2.3669	4.2019	3.2724	2.4172	2.4070
C4	2.9872	1.8106	3.7701		4.8149	1.0913	5.5441	1.0884	1.0894	5.4605	4.4596
C5	2.9872	3.7701	1.8106	4.8149		5.5441	1.0913	5.4605	4.4596	1.0884	1.0894
H6	3.9628	2.3669	4.6984	1.0913	5.5441		6.2305	1.7841	1.7801	6.2368	5.0210
H7	3.9628	4.6984	2.3669	5.5441	1.0913	6.2305		6.2368	5.0210	1.7841	1.7801
H8	3.1307	2.4172	4.2019	1.0884	5.4605	1.7841	6.2368		1.7907	5.9902	5.2441
H9	3.1210	2.4070	3.2724	1.0894	4.4596	1.7801	5.0210	1.7907		5.2441	4.2246
H10	3.1307	4.2019	2.4172	5.4605	1.0884	6.2368	1.7841	5.9902	5.2441		1.7907
H11	3.1210	3.2724	2.4070	4.4596	1.0894	5.0210	1.7801	5.2441	4.2246	1.7907

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	101.154	S1	S3	C5	101.154
S2	S1	S3	105.626	S2	C4	H6	106.660
S2	C4	H8	110.496	S2	C4	H9	109.679
S3	C5	H7	106.660	S3	C5	H10	110.496
S3	C5	H11	109.679	H6	C4	H8	109.870
H6	C4	H9	109.429	H7	C5	H10	109.870
H7	C5	H11	109.429	H8	C4	H9	110.623
H10	C5	H11	110.623

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

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

States and conformations

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