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	hartrees
Energy at 0K	-109.147479
Energy at 298.15K	-109.153169
Nuclear repulsion energy	108.082469

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3191	3073	17.89
2	A	3175	3058	0.01
3	A	3049	2937	7.13
4	A	1510	1454	8.95
5	A	1491	1436	10.65
6	A	1413	1361	0.37
7	A	1018	980	4.67
8	A	1009	971	3.43
9	A	656	632	0.12
10	A	378	364	0.76
11	A	230	221	0.01
12	A	173	167	1.04
13	A	131	126	2.21
14	A	51	50	2.76
15	B	3191	3073	10.39
16	B	3175	3058	12.65
17	B	3049	2937	46.41
18	B	1508	1452	12.30
19	B	1490	1435	12.99
20	B	1416	1364	5.66
21	B	1016	979	2.66
22	B	1006	969	16.30
23	B	656	632	1.19
24	B	382	368	8.64
25	B	230	222	1.08
26	B	175	168	0.84
27	B	74	71	4.45

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.241
S2	0.000	1.801	-0.181
S3	0.000	-1.801	-0.181
C4	1.816	1.755	-0.742
C5	-1.816	-1.755	-0.742
H6	1.938	2.594	-1.446
H7	-1.938	-2.594	-1.446
H8	2.481	1.886	0.122
H9	2.025	0.803	-1.251
H10	-2.481	-1.886	0.122
H11	-2.025	-0.803	-1.251

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.2944	2.2944	3.2110	3.2110	4.2077	4.2077	3.3112	3.3098	3.3112	3.3098
S2	2.2944		3.6018	1.9012	4.0324	2.4469	4.9669	2.5013	2.4984	4.4543	3.4680
S3	2.2944	3.6018		4.0324	1.9012	4.9669	2.4469	4.4543	3.4680	2.5013	2.4984
C4	3.2110	1.9012	4.0324		5.0515	1.1016	5.7884	1.0986	1.0999	5.6985	4.6433
C5	3.2110	4.0324	1.9012	5.0515		5.7884	1.1016	5.6985	4.6433	1.0986	1.0999
H6	4.2077	2.4469	4.9669	1.1016	5.7884		6.4758	1.8047	1.8032	6.4853	5.2236
H7	4.2077	4.9669	2.4469	5.7884	1.1016	6.4758		6.4853	5.2236	1.8047	1.8032
H8	3.3112	2.5013	4.4543	1.0986	5.6985	1.8047	6.4853		1.8072	6.2333	5.4245
H9	3.3098	2.4984	3.4680	1.0999	4.6433	1.8032	5.2236	1.8072		5.4245	4.3573
H10	3.3112	4.4543	2.5013	5.6985	1.0986	6.4853	1.8047	6.2333	5.4245		1.8072
H11	3.3098	3.4680	2.4984	4.6433	1.0999	5.2236	1.8032	5.4245	4.3573	1.8072

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	99.446	S1	S3	C5	99.446
S2	S1	S3	103.424	S2	C4	H6	106.064
S2	C4	H8	110.092	S2	C4	H9	109.816
S3	C5	H7	106.064	S3	C5	H10	110.092
S3	C5	H11	109.816	H6	C4	H8	110.214
H6	C4	H9	109.985	H7	C5	H10	110.214
H7	C5	H11	109.985	H8	C4	H9	110.574
H10	C5	H11	110.574

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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