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	hartrees
Energy at 0K	-876.118002
Energy at 298.15K	-876.123843
Nuclear repulsion energy	216.151887

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3090	3066	7.54
2	A	3071	3047	9.42
3	A	2985	2962	15.50
4	A	1454	1442	0.51
5	A	1439	1428	4.76
6	A	1321	1311	4.40
7	A	949	941	5.63
8	A	943	936	1.49
9	A	634	629	0.03
10	A	452	448	0.30
11	A	215	213	1.27
12	A	136	134	0.08
13	A	97	97	1.41
14	B	3089	3065	11.63
15	B	3070	3047	6.08
16	B	2983	2960	21.71
17	B	1457	1446	17.11
18	B	1434	1423	8.37
19	B	1313	1303	11.14
20	B	949	941	17.65
21	B	939	931	3.22
22	B	635	630	3.07
23	B	244	243	1.35
24	B	144	143	0.42

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.054	-0.498
S2	0.000	-1.054	-0.498
C3	1.249	1.500	0.804
C4	-1.249	-1.500	0.804
H5	1.320	2.598	0.782
H6	0.919	1.179	1.801
H7	2.228	1.064	0.565
H8	-1.320	-2.598	0.782
H9	-0.919	-1.179	1.801
H10	-2.228	-1.064	0.565

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.1086	1.8593	3.1276	2.4011	2.4795	2.4691	4.0894	3.3344	3.2536
S2	2.1086		3.1276	1.8593	4.0894	3.3344	3.2536	2.4011	2.4795	2.4691
C3	1.8593	3.1276		3.9039	1.1010	1.0981	1.0976	4.8368	3.5871	4.3273
C4	3.1276	1.8593	3.9039		4.8368	3.5871	4.3273	1.1010	1.0981	1.0976
H5	2.4011	4.0894	1.1010	4.8368		1.7930	1.7957	5.8285	4.5071	5.1039
H6	2.4795	3.3344	1.0981	3.5871	1.7930		1.8040	4.5071	2.9887	4.0573
H7	2.4691	3.2536	1.0976	4.3273	1.7957	1.8040		5.1039	4.0573	4.9387
H8	4.0894	2.4011	4.8368	1.1010	5.8285	4.5071	5.1039		1.7930	1.7957
H9	3.3344	2.4795	3.5871	1.0981	4.5071	2.9887	4.0573	1.7930		1.8040
H10	3.2536	2.4691	4.3273	1.0976	5.1039	4.0573	4.9387	1.7957	1.8040

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	103.862	S1	C3	H5	105.535
S1	C3	H6	111.326	S1	C3	H7	110.586
S2	S1	C3	103.862	S2	C4	H8	105.535
S2	C4	H9	111.326	S2	C4	H10	110.586
H5	C3	H6	109.239	H5	C3	H7	109.528
H6	C3	H7	110.492	H8	C4	H9	109.239
H8	C4	H10	109.528	H9	C4	H10	110.492

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

using model chemistry: BLYP/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	0.006
2	S	0.006
3	C	-0.418
4	C	-0.418
5	H	0.135
6	H	0.133
7	H	0.145
8	H	0.135
9	H	0.133
10	H	0.145

<r²>	163.342
(<r²>)^1/2	12.781

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

using model chemistry: BLYP/6-31G**

States and conformations

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