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	hartrees
Energy at 0K	-876.240489
Energy at 298.15K	-876.246551
HF Energy	-876.240489
Nuclear repulsion energy	220.799118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3157	3046	6.43
2	A	3137	3027	7.28
3	A	3047	2940	14.99
4	A	1488	1435	0.64
5	A	1475	1423	3.90
6	A	1345	1298	3.39
7	A	968	934	3.06
8	A	962	929	1.05
9	A	687	663	0.07
10	A	512	494	0.55
11	A	225	217	1.07
12	A	153	147	0.08
13	A	105	102	1.49
14	B	3156	3046	7.65
15	B	3137	3027	5.62
16	B	3045	2939	22.73
17	B	1490	1438	13.09
18	B	1469	1417	7.71
19	B	1337	1290	12.75
20	B	968	934	14.78
21	B	957	923	1.99
22	B	686	662	2.74
23	B	253	244	1.15
24	B	155	150	0.40

Atom	x (Å)	y (Å)	z (Å)
S1	-0.465	0.915	-0.478
S2	0.465	-0.915	-0.478
C3	0.465	1.864	0.770
C4	-0.465	-1.864	0.770
H5	0.047	2.875	0.753
H6	0.335	1.438	1.767
H7	1.524	1.903	0.508
H8	-0.047	-2.875	0.753
H9	-0.335	-1.438	1.767
H10	-1.524	-1.903	0.508

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.0524	1.8233	3.0459	2.3705	2.4401	2.4298	4.0063	3.2546	3.1668
S2	2.0524		3.0459	1.8233	4.0063	3.2546	3.1668	2.3705	2.4401	2.4298
C3	1.8233	3.0459		3.8419	1.0943	1.0917	1.0911	4.7660	3.5407	4.2673
C4	3.0459	1.8233	3.8419		4.7660	3.5407	4.2673	1.0943	1.0917	1.0911
H5	2.3705	4.0063	1.0943	4.7660		1.7816	1.7853	5.7500	4.4467	5.0346
H6	2.4401	3.2546	1.0917	3.5407	1.7816		1.7927	4.4467	2.9533	4.0249
H7	2.4298	3.1668	1.0911	4.2673	1.7853	1.7927		5.0346	4.0249	4.8750
H8	4.0063	2.3705	4.7660	1.0943	5.7500	4.4467	5.0346		1.7816	1.7853
H9	3.2546	2.4401	3.5407	1.0917	4.4467	2.9533	4.0249	1.7816		1.7927
H10	3.1668	2.4298	4.2673	1.0911	5.0346	4.0249	4.8750	1.7853	1.7927

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	103.447	S1	C3	H5	105.966
S1	C3	H6	111.170	S1	C3	H7	110.434
S2	S1	C3	103.447	S2	C4	H8	105.966
S2	C4	H9	111.170	S2	C4	H10	110.434
H5	C3	H6	109.175	H5	C3	H7	109.554
H6	C3	H7	110.430	H8	C4	H9	109.175
H8	C4	H10	109.554	H9	C4	H10	110.430

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

using model chemistry: TPSSh/6-31G(2df,p)

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

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

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