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	hartrees
Energy at 0K	-1272.454312
Energy at 298.15K	-1272.460558
Nuclear repulsion energy	363.157799

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3188	3036	7.94
2	A	3175	3023	0.18
3	A	3084	2937	3.76
4	A	1529	1456	7.83
5	A	1509	1437	8.49
6	A	1421	1353	0.19
7	A	1027	978	0.03
8	A	1024	975	4.78
9	A	739	704	0.07
10	A	495	472	0.39
11	A	272	259	0.46
12	A	192	183	1.74
13	A	159	151	1.15
14	A	63	60	2.36
15	B	3188	3036	3.84
16	B	3175	3023	7.59
17	B	3084	2937	30.16
18	B	1528	1455	12.46
19	B	1509	1437	9.28
20	B	1423	1356	5.18
21	B	1026	977	2.85
22	B	1020	971	15.09
23	B	738	703	0.98
24	B	499	475	10.73
25	B	279	266	1.18
26	B	182	173	0.67
27	B	95	91	3.47

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.085
S2	0.000	1.661	-0.158
S3	0.000	-1.661	-0.158
C4	1.750	1.747	-0.647
C5	-1.750	-1.747	-0.647
H6	1.855	2.622	-1.298
H7	-1.855	-2.622	-1.298
H8	2.393	1.867	0.229
H9	2.036	0.850	-1.204
H10	-2.393	-1.867	0.229
H11	-2.036	-0.850	-1.204

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0747	2.0747	3.0192	3.0192	3.9999	3.9999	3.1537	3.1796	3.1537	3.1796
S2	2.0747		3.3215	1.8188	3.8621	2.3804	4.8047	2.4330	2.4282	4.2804	3.3979
S3	2.0747	3.3215		3.8621	1.8188	4.8047	2.3804	4.2804	3.3979	2.4330	2.4282
C4	3.0192	1.8188	3.8621		4.9458	1.0957	5.7021	1.0933	1.0941	5.5673	4.6251
C5	3.0192	3.8621	1.8188	4.9458		5.7021	1.0957	5.5673	4.6251	1.0933	1.0941
H6	3.9999	2.3804	4.8047	1.0957	5.7021		6.4242	1.7865	1.7832	6.3666	5.2164
H7	3.9999	4.8047	2.3804	5.7021	1.0957	6.4242		6.3666	5.2164	1.7865	1.7832
H8	3.1537	2.4330	4.2804	1.0933	5.5673	1.7865	6.3666		1.7930	6.0705	5.3904
H9	3.1796	2.4282	3.3979	1.0941	4.6251	1.7832	5.2164	1.7930		5.3904	4.4130
H10	3.1537	4.2804	2.4330	5.5673	1.0933	6.3666	1.7865	6.0705	5.3904		1.7930
H11	3.1796	3.3979	2.4282	4.6251	1.0941	5.2164	1.7832	5.3904	4.4130	1.7930

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	101.487	S1	S3	C5	101.487
S2	S1	S3	106.355	S2	C4	H6	106.889
S2	C4	H8	110.863	S2	C4	H9	110.455
S3	C5	H7	106.889	S3	C5	H10	110.863
S3	C5	H11	110.455	H6	C4	H8	109.406
H6	C4	H9	109.046	H7	C5	H10	109.406
H7	C5	H11	109.046	H8	C4	H9	110.107
H10	C5	H11	110.107

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)