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	hartrees
Energy at 0K	-1272.614108
Energy at 298.15K	-1272.620417
Nuclear repulsion energy	363.165547

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3172	3172	10.59
2	A	3162	3162	0.18
3	A	3073	3073	4.16
4	A	1492	1492	8.32
5	A	1476	1476	6.27
6	A	1407	1407	0.64
7	A	1016	1016	3.46
8	A	1009	1009	2.36
9	A	740	740	0.06
10	A	480	480	0.35
11	A	272	272	0.29
12	A	206	206	0.94
13	A	165	165	1.93
14	A	63	63	2.05
15	B	3172	3172	4.20
16	B	3162	3162	10.99
17	B	3073	3073	35.93
18	B	1490	1490	12.02
19	B	1475	1475	8.88
20	B	1409	1409	8.32
21	B	1015	1015	1.32
22	B	1004	1004	17.02
23	B	739	739	1.36
24	B	481	481	10.57
25	B	281	281	1.22
26	B	202	202	0.69
27	B	92	92	2.79

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.082
S2	0.000	1.665	-0.170
S3	0.000	-1.665	-0.170
C4	1.753	1.738	-0.626
C5	-1.753	-1.738	-0.626
H6	1.879	2.614	-1.269
H7	-1.879	-2.614	-1.269
H8	2.381	1.845	0.261
H9	2.042	0.843	-1.181
H10	-2.381	-1.845	0.261
H11	-2.042	-0.843	-1.181

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0831	2.0831	3.0021	3.0021	3.9869	3.9869	3.1218	3.1631	3.1218	3.1631
S2	2.0831		3.3299	1.8130	3.8551	2.3752	4.8013	2.4258	2.4228	4.2628	3.3886
S3	2.0831	3.3299		3.8551	1.8130	4.8013	2.3752	4.2628	3.3886	2.4258	2.4228
C4	3.0021	1.8130	3.8551		4.9372	1.0942	5.7052	1.0917	1.0924	5.5417	4.6229
C5	3.0021	3.8551	1.8130	4.9372		5.7052	1.0942	5.5417	4.6229	1.0917	1.0924
H6	3.9869	2.3752	4.8013	1.0942	5.7052		6.4393	1.7843	1.7812	6.3538	5.2283
H7	3.9869	4.8013	2.3752	5.7052	1.0942	6.4393		6.3538	5.2283	1.7843	1.7812
H8	3.1218	2.4258	4.2628	1.0917	5.5417	1.7843	6.3538		1.7887	6.0235	5.3724
H9	3.1631	2.4228	3.3886	1.0924	4.6229	1.7812	5.2283	1.7887		5.3724	4.4182
H10	3.1218	4.2628	2.4258	5.5417	1.0917	6.3538	1.7843	6.0235	5.3724		1.7887
H11	3.1631	3.3886	2.4228	4.6229	1.0924	5.2283	1.7812	5.3724	4.4182	1.7887

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	100.577	S1	S3	C5	100.577
S2	S1	S3	106.118	S2	C4	H6	106.962
S2	C4	H8	110.798	S2	C4	H9	110.533
S3	C5	H7	106.962	S3	C5	H10	110.798
S3	C5	H11	110.533	H6	C4	H8	109.430
H6	C4	H9	109.095	H7	C5	H10	109.430
H7	C5	H11	109.095	H8	C4	H9	109.957
H10	C5	H11	109.957

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

using model chemistry: CCSD/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: CCSD/6-311G**

States and conformations

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