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	hartrees
Energy at 0K	-871.750265
Energy at 298.15K	-871.755790
Nuclear repulsion energy	206.817352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3122	3105	6.45
2	A	3097	3080	7.26
3	A	3008	2991	11.02
4	A	1497	1489	0.28
5	A	1489	1481	9.13
6	A	1339	1332	2.81
7	A	956	951	2.32
8	A	950	944	6.12
9	A	587	584	1.41
10	A	395	393	0.02
11	A	180	179	0.84
12	A	106	105	0.12
13	A	71	70	1.69
14	B	3122	3105	7.65
15	B	3096	3079	2.11
16	B	3007	2990	9.45
17	B	1501	1493	23.53
18	B	1484	1476	14.36
19	B	1332	1325	8.96
20	B	959	953	19.12
21	B	946	941	4.26
22	B	588	584	1.45
23	B	210	208	1.82
24	B	121	121	0.60

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.151	-0.521
S2	0.000	-1.151	-0.521
C3	1.321	1.477	0.849
C4	-1.321	-1.477	0.849
H5	1.441	2.570	0.873
H6	0.950	1.108	1.812
H7	2.258	0.988	0.560
H8	-1.441	-2.570	0.873
H9	-0.950	-1.108	1.812
H10	-2.258	-0.988	0.560

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.3028	1.9308	3.2452	2.4565	2.5194	2.5083	4.2275	3.3838	3.2928
S2	2.3028		3.2452	1.9308	4.2275	3.3838	3.2928	2.4565	2.5194	2.5083
C3	1.9308	3.2452		3.9633	1.0999	1.0962	1.0955	4.9002	3.5730	4.3551
C4	3.2452	1.9308	3.9633		4.9002	3.5730	4.3551	1.0999	1.0962	1.0955
H5	2.4565	4.2275	1.0999	4.9002		1.8059	1.8076	5.8936	4.4864	5.1422
H6	2.5194	3.3838	1.0962	3.5730	1.8059		1.8144	4.4864	2.9187	4.0309
H7	2.5083	3.2928	1.0955	4.3551	1.8076	1.8144		5.1422	4.0309	4.9287
H8	4.2275	2.4565	4.9002	1.0999	5.8936	4.4864	5.1422		1.8059	1.8076
H9	3.3838	2.5194	3.5730	1.0962	4.4864	2.9187	4.0309	1.8059		1.8144
H10	3.2928	2.5083	4.3551	1.0955	5.1422	4.0309	4.9287	1.8076	1.8144

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	99.717	S1	C3	H5	104.969
S1	C3	H6	109.571	S1	C3	H7	108.809
S2	S1	C3	99.717	S2	C4	H8	104.969
S2	C4	H9	109.571	S2	C4	H10	108.809
H5	C3	H6	110.640	H5	C3	H7	110.843
H6	C3	H7	111.766	H8	C4	H9	110.640
H8	C4	H10	110.843	H9	C4	H10	111.766

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

using model chemistry: BLYP/3-21G

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	0.058
2	S	0.058
3	C	-0.732
4	C	-0.732
5	H	0.223
6	H	0.218
7	H	0.233
8	H	0.223
9	H	0.218
10	H	0.233

<r²>	174.108
(<r²>)^1/2	13.195

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

using model chemistry: BLYP/3-21G

States and conformations

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