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	hartrees
Energy at 0K	-35.217143
Energy at 298.15K	-35.223145
Nuclear repulsion energy	64.016058

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3134	3038	11.47
2	A	3115	3020	11.66
3	A	3028	2936	24.92
4	A	1485	1440	0.60
5	A	1474	1429	7.74
6	A	1362	1320	3.01
7	A	971	941	4.94
8	A	967	937	0.21
9	A	676	656	0.09
10	A	489	474	0.46
11	A	223	217	1.25
12	A	146	142	0.03
13	A	98	95	1.29
14	B	3133	3037	19.05
15	B	3115	3019	14.71
16	B	3026	2934	39.26
17	B	1489	1443	20.22
18	B	1469	1424	12.74
19	B	1354	1313	8.66
20	B	974	944	16.36
21	B	960	931	2.12
22	B	675	655	1.98
23	B	252	244	1.14
24	B	154	149	0.36

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.048	-0.497
S2	0.000	-1.048	-0.497
C3	1.252	1.468	0.801
C4	-1.252	-1.468	0.801
H5	1.339	2.561	0.795
H6	0.925	1.139	1.792
H7	2.221	1.025	0.556
H8	-1.339	-2.561	0.795
H9	-0.925	-1.139	1.792
H10	-2.221	-1.025	0.556

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.0955	1.8511	3.0947	2.3982	2.4697	2.4582	4.0602	3.2972	3.2151
S2	2.0955		3.0947	1.8511	4.0602	3.2972	3.2151	2.3982	2.4697	2.4582
C3	1.8511	3.0947		3.8582	1.0970	1.0942	1.0935	4.7898	3.5375	4.2821
C4	3.0947	1.8511	3.8582		4.7898	3.5375	4.2821	1.0970	1.0942	1.0935
H5	2.3982	4.0602	1.0970	4.7898		1.7853	1.7882	5.7798	4.4503	5.0586
H6	2.4697	3.2972	1.0942	3.5375	1.7853		1.7948	4.4503	2.9341	4.0134
H7	2.4582	3.2151	1.0935	4.2821	1.7882	1.7948		5.0586	4.0134	4.8928
H8	4.0602	2.3982	4.7898	1.0970	5.7798	4.4503	5.0586		1.7853	1.7882
H9	3.2972	2.4697	3.5375	1.0942	4.4503	2.9341	4.0134	1.7853		1.7948
H10	3.2151	2.4582	4.2821	1.0935	5.0586	4.0134	4.8928	1.7882	1.7948

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	103.107	S1	C3	H5	106.022
S1	C3	H6	111.362	S1	C3	H7	110.535
S2	S1	C3	103.107	S2	C4	H8	106.022
S2	C4	H9	111.362	S2	C4	H10	110.535
H5	C3	H6	109.123	H5	C3	H7	109.436
H6	C3	H7	110.253	H8	C4	H9	109.123
H8	C4	H10	109.436	H9	C4	H10	110.253

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

using model chemistry: B3LYP/CEP-121G*

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	-0.574
4	C	-0.574
5	H	0.189
6	H	0.188
7	H	0.202
8	H	0.189
9	H	0.188
10	H	0.202

	x	y	z
x	9.445	-2.349	0.000
y	-2.349	10.399	0.000
z	0.000	0.000	8.063

<r²>	115.937
(<r²>)^1/2	10.767

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

using model chemistry: B3LYP/CEP-121G*

States and conformations

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