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	hartrees
Energy at 0K	-1271.986362
Energy at 298.15K	-1271.992100
Nuclear repulsion energy	342.339377

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3222	3061	5.21
2	A	3204	3045	0.02
3	A	3095	2941	2.91
4	A	1545	1468	9.12
5	A	1525	1449	11.10
6	A	1425	1354	0.37
7	A	1025	974	2.45
8	A	1018	967	3.01
9	A	661	628	0.00
10	A	397	377	0.51
11	A	229	218	0.02
12	A	166	158	0.90
13	A	131	125	2.25
14	A	53	51	2.52
15	B	3222	3061	5.16
16	B	3204	3045	3.97
17	B	3095	2941	22.47
18	B	1544	1467	15.27
19	B	1524	1448	10.87
20	B	1428	1357	7.40
21	B	1024	973	2.57
22	B	1016	965	15.74
23	B	660	627	2.05
24	B	399	379	8.59
25	B	229	217	0.78
26	B	164	156	0.65
27	B	78	74	4.63

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.236
S2	0.000	1.783	-0.174
S3	0.000	-1.783	-0.174
C4	1.808	1.742	-0.750
C5	-1.808	-1.742	-0.750
H6	1.913	2.570	-1.460
H7	-1.913	-2.570	-1.460
H8	2.474	1.884	0.104
H9	2.009	0.790	-1.250
H10	-2.474	-1.884	0.104
H11	-2.009	-0.790	-1.250

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.2728	2.2728	3.2011	3.2011	4.1870	4.1870	3.3092	3.2924	3.3092	3.2924
S2	2.2728		3.5656	1.8980	4.0030	2.4360	4.9253	2.4915	2.4860	4.4320	3.4371
S3	2.2728	3.5656		4.0030	1.8980	4.9253	2.4360	4.4320	3.4371	2.4915	2.4860
C4	3.2011	1.8980	4.0030		5.0210	1.0954	5.7394	1.0923	1.0937	5.6754	4.6076
C5	3.2011	4.0030	1.8980	5.0210		5.7394	1.0954	5.6754	4.6076	1.0923	1.0937
H6	4.1870	2.4360	4.9253	1.0954	5.7394		6.4075	1.7971	1.7945	6.4443	5.1689
H7	4.1870	4.9253	2.4360	5.7394	1.0954	6.4075		6.4443	5.1689	1.7971	1.7945
H8	3.3092	2.4915	4.4320	1.0923	5.6754	1.7971	6.4443		1.8016	6.2192	5.3926
H9	3.2924	2.4860	3.4371	1.0937	4.6076	1.7945	5.1689	1.8016		5.3926	4.3177
H10	3.3092	4.4320	2.4915	5.6754	1.0923	6.4443	1.7971	6.2192	5.3926		1.8016
H11	3.2924	3.4371	2.4860	4.6076	1.0937	5.1689	1.7945	5.3926	4.3177	1.8016

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	99.869	S1	S3	C5	99.869
S2	S1	S3	103.333	S2	C4	H6	105.791
S2	C4	H8	109.908	S2	C4	H9	109.435
S3	C5	H7	105.791	S3	C5	H10	109.908
S3	C5	H11	109.435	H6	C4	H8	110.456
H6	C4	H9	110.116	H7	C5	H10	110.456
H7	C5	H11	110.116	H8	C4	H9	111.001
H10	C5	H11	111.001

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G

States and conformations

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