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	hartrees
Energy at 0K	-876.124207
Energy at 298.15K	-876.130057
Nuclear repulsion energy	216.003648

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3078	3062	6.94
2	A	3061	3045	7.60
3	A	2977	2961	18.64
4	A	1443	1436	0.42
5	A	1429	1422	7.18
6	A	1316	1309	2.18
7	A	945	940	3.94
8	A	940	935	0.83
9	A	631	628	0.01
10	A	448	445	0.56
11	A	215	214	1.13
12	A	140	139	0.07
13	A	98	98	1.44
14	B	3077	3061	9.59
15	B	3061	3045	6.49
16	B	2975	2959	28.49
17	B	1447	1439	22.40
18	B	1424	1417	12.21
19	B	1310	1303	6.10
20	B	945	940	13.41
21	B	935	930	1.95
22	B	631	628	3.98
23	B	244	242	0.96
24	B	148	147	0.45

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.055	-0.497
S2	0.000	-1.055	-0.497
C3	1.254	1.501	0.802
C4	-1.254	-1.501	0.802
H5	1.333	2.599	0.773
H6	0.924	1.188	1.803
H7	2.231	1.057	0.564
H8	-1.333	-2.599	0.773
H9	-0.924	-1.188	1.803
H10	-2.231	-1.057	0.564

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.1101	1.8601	3.1293	2.4024	2.4819	2.4704	4.0915	3.3428	3.2504
S2	2.1101		3.1293	1.8601	4.0915	3.3428	3.2504	2.4024	2.4819	2.4704
C3	1.8601	3.1293		3.9117	1.1017	1.0989	1.0985	4.8476	3.6023	4.3299
C4	3.1293	1.8601	3.9117		4.8476	3.6023	4.3299	1.1017	1.0989	1.0985
H5	2.4024	4.0915	1.1017	4.8476		1.7938	1.7965	5.8414	4.5273	5.1099
H6	2.4819	3.3428	1.0989	3.6023	1.7938		1.8052	4.5273	3.0106	4.0659
H7	2.4704	3.2504	1.0985	4.3299	1.7965	1.8052		5.1099	4.0659	4.9377
H8	4.0915	2.4024	4.8476	1.1017	5.8414	4.5273	5.1099		1.7938	1.7965
H9	3.3428	2.4819	3.6023	1.0989	4.5273	3.0106	4.0659	1.7938		1.8052
H10	3.2504	2.4704	4.3299	1.0985	5.1099	4.0659	4.9377	1.7965	1.8052

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	103.856	S1	C3	H5	105.541
S1	C3	H6	111.412	S1	C3	H7	110.579
S2	S1	C3	103.856	S2	C4	H8	105.541
S2	C4	H9	111.412	S2	C4	H10	110.579
H5	C3	H6	109.211	H5	C3	H7	109.482
H6	C3	H7	110.480	H8	C4	H9	109.211
H8	C4	H10	109.482	H9	C4	H10	110.480

All results from a given calculation for CH₃SSCH₃ (Disulfide, dimethyl)

using model chemistry: BLYP/6-31+G**

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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Number	Element	Mulliken
1	S	0.052
2	S	0.052
3	C	-0.602
4	C	-0.602
5	H	0.178
6	H	0.180
7	H	0.192
8	H	0.178
9	H	0.180
10	H	0.192

<r²>	164.257
(<r²>)^1/2	12.816

All results from a given calculation for CH3SSCH3 (Disulfide, dimethyl)

using model chemistry: BLYP/6-31+G**

States and conformations

All results from a given calculation for CH₃SSCH₃ (Disulfide, dimethyl)