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	hartrees
Energy at 0K	-876.194057
Energy at 298.15K	-876.199982
Nuclear repulsion energy	216.026647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3066	3054	8.06
2	A	3049	3037	9.21
3	A	2971	2959	18.43
4	A	1437	1432	0.43
5	A	1427	1422	6.47
6	A	1318	1313	3.80
7	A	952	948	7.86
8	A	944	940	1.15
9	A	630	627	0.04
10	A	433	432	0.41
11	A	218	217	1.31
12	A	161	161	0.00
13	A	102	101	1.32
14	B	3066	3054	11.27
15	B	3049	3037	7.57
16	B	2969	2958	24.98
17	B	1441	1435	21.81
18	B	1422	1416	9.97
19	B	1311	1306	7.41
20	B	949	945	18.67
21	B	942	939	5.05
22	B	630	627	3.41
23	B	244	243	1.46
24	B	164	163	0.42

Atom	x (Å)	y (Å)	z (Å)
S1	-0.470	0.951	-0.497
S2	0.470	-0.951	-0.497
C3	0.470	1.888	0.803
C4	-0.470	-1.888	0.803
H5	0.058	2.906	0.786
H6	0.317	1.451	1.796
H7	1.536	1.919	0.556
H8	-0.058	-2.906	0.786
H9	-0.317	-1.451	1.796
H10	-1.536	-1.919	0.556

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.1220	1.8570	3.1224	2.3972	2.4755	2.4635	4.0863	3.3246	3.2384
S2	2.1220		3.1224	1.8570	4.0863	3.3246	3.2384	2.3972	2.4755	2.4635
C3	1.8570	3.1224		3.8903	1.0988	1.0957	1.0952	4.8228	3.5710	4.3101
C4	3.1224	1.8570	3.8903		4.8228	3.5710	4.3101	1.0988	1.0957	1.0952
H5	2.3972	4.0863	1.0988	4.8228		1.7902	1.7923	5.8135	4.4883	5.0873
H6	2.4755	3.3246	1.0957	3.5710	1.7902		1.8009	4.4883	2.9705	4.0414
H7	2.4635	3.2384	1.0952	4.3101	1.7923	1.8009		5.0873	4.0414	4.9168
H8	4.0863	2.3972	4.8228	1.0988	5.8135	4.4883	5.0873		1.7902	1.7923
H9	3.3246	2.4755	3.5710	1.0957	4.4883	2.9705	4.0414	1.7902		1.8009
H10	3.2384	2.4635	4.3101	1.0952	5.0873	4.0414	4.9168	1.7923	1.8009

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	103.190	S1	C3	H5	105.508
S1	C3	H6	111.309	S1	C3	H7	110.447
S2	S1	C3	103.190	S2	C4	H8	105.508
S2	C4	H9	111.309	S2	C4	H10	110.447
H5	C3	H6	109.325	H5	C3	H7	109.554
H6	C3	H7	110.564	H8	C4	H9	109.325
H8	C4	H10	109.554	H9	C4	H10	110.564

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

using model chemistry: BLYP/6-311G**

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	0.003
2	S	0.003
3	C	-0.441
4	C	-0.441
5	H	0.141
6	H	0.142
7	H	0.155
8	H	0.141
9	H	0.142
10	H	0.155

	x	y	z	Total
	0.000	0.000	2.180	2.180
CHELPG
AIM
ESP

	x	y	z
x	7.687	-0.304	0.000
y	-0.304	12.691	0.000
z	0.000	0.000	8.097

<r²>	163.874
(<r²>)^1/2	12.801

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

using model chemistry: BLYP/6-311G**

States and conformations

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