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	hartrees
Energy at 0K	-876.133421
Energy at 298.15K	-876.139185
Nuclear repulsion energy	209.977597

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3204	3082	6.96
2	A	3185	3064	7.66
3	A	3082	2965	15.40
4	A	1518	1460	0.01
5	A	1505	1448	11.25
6	A	1389	1337	2.40
7	A	996	958	10.23
8	A	994	957	0.00
9	A	643	619	1.08
10	A	424	408	0.02
11	A	198	190	1.17
12	A	126	121	0.07
13	A	77	74	2.12
14	B	3204	3082	8.90
15	B	3184	3063	2.38
16	B	3081	2964	15.53
17	B	1521	1464	26.60
18	B	1501	1444	14.83
19	B	1384	1331	5.53
20	B	997	959	21.23
21	B	991	953	3.99
22	B	642	618	1.06
23	B	225	216	1.97
24	B	136	131	0.60

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.123	-0.506
S2	0.000	-1.123	-0.506
C3	1.302	1.493	0.821
C4	-1.302	-1.493	0.821
H5	1.404	2.581	0.833
H6	0.964	1.139	1.795
H7	2.249	1.029	0.546
H8	-1.404	-2.581	0.833
H9	-0.964	-1.139	1.795
H10	-2.249	-1.029	0.546

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.2466	1.8962	3.2097	2.4270	2.4956	2.4850	4.1817	3.3683	3.2865
S2	2.2466		3.2097	1.8962	4.1817	3.3683	3.2865	2.4270	2.4956	2.4850
C3	1.8962	3.2097		3.9617	1.0930	1.0901	1.0895	4.8904	3.6068	4.3646
C4	3.2097	1.8962	3.9617		4.8904	3.6068	4.3646	1.0930	1.0901	1.0895
H5	2.4270	4.1817	1.0930	4.8904		1.7884	1.7900	5.8759	4.5131	5.1441
H6	2.4956	3.3683	1.0901	3.6068	1.7884		1.7958	4.5131	2.9840	4.0727
H7	2.4850	3.2865	1.0895	4.3646	1.7900	1.7958		5.1441	4.0727	4.9472
H8	4.1817	2.4270	4.8904	1.0930	5.8759	4.5131	5.1441		1.7884	1.7900
H9	3.3683	2.4956	3.6068	1.0901	4.5131	2.9840	4.0727	1.7884		1.7958
H10	3.2865	2.4850	4.3646	1.0895	5.1441	4.0727	4.9472	1.7900	1.7958

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	101.232	S1	C3	H5	105.391
S1	C3	H6	110.450	S1	C3	H7	109.702
S2	S1	C3	101.232	S2	C4	H8	105.391
S2	C4	H9	110.450	S2	C4	H10	109.702
H5	C3	H6	110.007	H5	C3	H7	110.196
H6	C3	H7	110.953	H8	C4	H9	110.007
H8	C4	H10	110.196	H9	C4	H10	110.953

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	S	0.050
2	S	0.050
3	C	-0.612
4	C	-0.612
5	H	0.186
6	H	0.180
7	H	0.195
8	H	0.186
9	H	0.180
10	H	0.195

	x	y	z
x	12.040	-0.001	-0.684
y	-0.001	6.899	0.001
z	-0.684	0.001	6.677

<r²>	170.788
(<r²>)^1/2	13.069

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

using model chemistry: B3LYP/6-31G

States and conformations

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