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	hartrees
Energy at 0K	-1272.777035
Energy at 298.15K	-1272.783289
HF Energy	-1271.895273
Nuclear repulsion energy	368.980635

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3197	3042	3.02
2	A	3182	3028	0.01
3	A	3080	2931	4.05
4	A	1492	1420	6.44
5	A	1471	1400	8.31
6	A	1348	1283	0.22
7	A	980	933	1.66
8	A	979	932	1.00
9	A	732	697	0.19
10	A	513	488	0.20
11	A	275	262	0.15
12	A	192	182	1.19
13	A	158	150	1.12
14	A	62	59	1.71
15	B	3196	3041	1.96
16	B	3182	3027	3.07
17	B	3080	2931	27.18
18	B	1491	1418	9.54
19	B	1470	1399	8.82
20	B	1350	1285	6.55
21	B	983	935	1.10
22	B	972	925	10.96
23	B	730	695	1.04
24	B	503	478	14.58
25	B	280	266	0.70
26	B	183	175	0.60
27	B	97	92	3.72

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.998
S2	0.000	1.663	-0.113
S3	0.000	-1.663	-0.113
C4	1.693	1.872	-0.647
C5	-1.693	-1.872	-0.647
H6	1.752	2.895	-1.022
H7	-1.752	-2.895	-1.022
H8	2.399	1.756	0.174
H9	1.961	1.190	-1.452
H10	-2.399	-1.756	0.174
H11	-1.961	-1.190	-1.452

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.9999	1.9999	3.0127	3.0127	3.9406	3.9406	3.0850	3.3563	3.0850	3.3563
S2	1.9999		3.3265	1.7872	3.9561	2.3264	4.9669	2.4179	2.4216	4.1868	3.7123
S3	1.9999	3.3265		3.9561	1.7872	4.9669	2.3264	4.1868	3.7123	2.4179	2.4216
C4	3.0127	1.7872	3.9561		5.0479	1.0906	5.8930	1.0896	1.0890	5.5300	4.8348
C5	3.0127	3.9561	1.7872	5.0479		5.8930	1.0906	5.5300	4.8348	1.0896	1.0890
H6	3.9406	2.3264	4.9669	1.0906	5.8930		6.7668	1.7741	1.7704	6.3474	5.5366
H7	3.9406	4.9669	2.3264	5.8930	1.0906	6.7668		6.3474	5.5366	1.7741	1.7704
H8	3.0850	2.4179	4.1868	1.0896	5.5300	1.7741	6.3474		1.7770	5.9461	5.5077
H9	3.3563	2.4216	3.7123	1.0890	4.8348	1.7704	5.5366	1.7770		5.5077	4.5877
H10	3.0850	4.1868	2.4179	5.5300	1.0896	6.3474	1.7741	5.9461	5.5077		1.7770
H11	3.3563	3.7123	2.4216	4.8348	1.0890	5.5366	1.7704	5.5077	4.5877	1.7770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	105.266	S1	S3	C5	105.266
S2	S1	S3	112.539	S2	C4	H6	105.299
S2	C4	H8	112.095	S2	C4	H9	112.411
S3	C5	H7	105.299	S3	C5	H10	112.095
S3	C5	H11	112.411	H6	C4	H8	108.924
H6	C4	H9	108.633	H7	C5	H10	108.924
H7	C5	H11	108.633	H8	C4	H9	109.309
H10	C5	H11	109.309

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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