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	hartrees
Energy at 0K	-876.246444
Energy at 298.15K	-876.252433
Nuclear repulsion energy	218.347799

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3150	3056	5.05
2	A	3133	3039	6.93
3	A	3039	2948	16.42
4	A	1446	1402	0.40
5	A	1432	1389	5.67
6	A	1318	1278	2.37
7	A	955	926	4.27
8	A	951	923	0.70
9	A	678	658	0.07
10	A	484	470	0.47
11	A	226	219	1.04
12	A	141	137	0.16
13	A	98	95	1.18
14	B	3150	3055	8.30
15	B	3133	3039	4.50
16	B	3037	2946	24.78
17	B	1449	1406	16.51
18	B	1427	1385	9.98
19	B	1310	1271	10.65
20	B	956	928	14.59
21	B	946	918	2.66
22	B	678	657	3.24
23	B	257	249	1.25
24	B	149	145	0.35

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.046	-0.494
S2	0.000	-1.046	-0.494
C3	1.242	1.459	0.796
C4	-1.242	-1.459	0.796
H5	1.323	2.558	0.791
H6	0.912	1.126	1.790
H7	2.217	1.018	0.548
H8	-1.323	-2.558	0.791
H9	-0.912	-1.126	1.790
H10	-2.217	-1.018	0.548

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.0925	1.8373	3.0791	2.3842	2.4603	2.4500	4.0482	3.2808	3.2035
S2	2.0925		3.0791	1.8373	4.0482	3.2808	3.2035	2.3842	2.4603	2.4500
C3	1.8373	3.0791		3.8318	1.1018	1.0994	1.0987	4.7655	3.5080	4.2619
C4	3.0791	1.8373	3.8318		4.7655	3.5080	4.2619	1.1018	1.0994	1.0987
H5	2.3842	4.0482	1.1018	4.7655		1.7938	1.7973	5.7589	4.4224	5.0375
H6	2.4603	3.2808	1.0994	3.5080	1.7938		1.8055	4.4224	2.8971	3.9912
H7	2.4500	3.2035	1.0987	4.2619	1.7973	1.8055		5.0375	3.9912	4.8798
H8	4.0482	2.3842	4.7655	1.1018	5.7589	4.4224	5.0375		1.7938	1.7973
H9	3.2808	2.4603	3.5080	1.0994	4.4224	2.8971	3.9912	1.7938		1.8055
H10	3.2035	2.4500	4.2619	1.0987	5.0375	3.9912	4.8798	1.7973	1.8055

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.972	S1	C3	H5	105.683
S1	C3	H6	111.318	S1	C3	H7	110.586
S2	S1	C3	102.972	S2	C4	H8	105.683
S2	C4	H9	111.318	S2	C4	H10	110.586
H5	C3	H6	109.156	H5	C3	H7	109.525
H6	C3	H7	110.446	H8	C4	H9	109.156
H8	C4	H10	109.525	H9	C4	H10	110.446

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

using model chemistry: B3LYP/cc-pVDZ

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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Number	Element	Mulliken
1	S	-0.068
2	S	-0.068
3	C	-0.115
4	C	-0.115
5	H	0.058
6	H	0.058
7	H	0.067
8	H	0.058
9	H	0.058
10	H	0.067

<r²>	159.741
(<r²>)^1/2	12.639

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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