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	hartrees
Energy at 0K	-1272.029145
Energy at 298.15K	-1272.034765
Nuclear repulsion energy	340.091866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3169	3054	7.15
2	A	3152	3037	0.07
3	A	3051	2940	3.73
4	A	1523	1468	8.14
5	A	1504	1450	10.24
6	A	1400	1349	0.73
7	A	1008	972	1.78
8	A	1003	966	2.87
9	A	637	614	0.07
10	A	382	368	0.41
11	A	223	215	0.02
12	A	159	153	0.99
13	A	129	124	1.96
14	A	52	50	2.48
15	B	3169	3054	5.35
16	B	3152	3037	5.37
17	B	3051	2940	26.29
18	B	1522	1467	13.50
19	B	1504	1449	10.59
20	B	1403	1352	11.45
21	B	1007	970	1.99
22	B	1001	965	13.23
23	B	636	613	2.54
24	B	381	367	7.12
25	B	227	218	0.67
26	B	156	151	0.59
27	B	77	74	4.30

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.235
S2	0.000	1.796	-0.181
S3	0.000	-1.796	-0.181
C4	1.826	1.771	-0.739
C5	-1.826	-1.771	-0.739
H6	1.935	2.604	-1.447
H7	-1.935	-2.604	-1.447
H8	2.479	1.915	0.130
H9	2.037	0.817	-1.238
H10	-2.479	-1.915	0.130
H11	-2.037	-0.817	-1.238

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.2873	2.2873	3.2194	3.2194	4.2088	4.2088	3.3215	3.3065	3.3215	3.3065
S2	2.2873		3.5926	1.9095	4.0457	2.4488	4.9706	2.5009	2.4951	4.4736	3.4778
S3	2.2873	3.5926		4.0457	1.9095	4.9706	2.4488	4.4736	3.4778	2.5009	2.4951
C4	3.2194	1.9095	4.0457		5.0868	1.0989	5.8119	1.0958	1.0970	5.7329	4.6760
C5	3.2194	4.0457	1.9095	5.0868		5.8119	1.0989	5.7329	4.6760	1.0958	1.0970
H6	4.2088	2.4488	4.9706	1.0989	5.8119		6.4878	1.8043	1.8020	6.5100	5.2456
H7	4.2088	4.9706	2.4488	5.8119	1.0989	6.4878		6.5100	5.2456	1.8043	1.8020
H8	3.3215	2.5009	4.4736	1.0958	5.7329	1.8043	6.5100		1.8088	6.2644	5.4519
H9	3.3065	2.4951	3.4778	1.0970	4.6760	1.8020	5.2456	1.8088		5.4519	4.3889
H10	3.3215	4.4736	2.5009	5.7329	1.0958	6.5100	1.8043	6.2644	5.4519		1.8088
H11	3.3065	3.4778	2.4951	4.6760	1.0970	5.2456	1.8020	5.4519	4.3889	1.8088

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	99.800	S1	S3	C5	99.800
S2	S1	S3	103.507	S2	C4	H6	105.807
S2	C4	H8	109.656	S2	C4	H9	109.178
S3	C5	H7	105.807	S3	C5	H10	109.656
S3	C5	H11	109.178	H6	C4	H8	110.594
H6	C4	H9	110.298	H7	C5	H10	110.594
H7	C5	H11	110.298	H8	C4	H9	111.159
H10	C5	H11	111.159

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

using model chemistry: QCISD/6-31G

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

States and conformations

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