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	hartrees
Energy at 0K	-870.607065
Energy at 298.15K	-870.613273
HF Energy	-870.125429
Nuclear repulsion energy	221.107453

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3145	3008	4.45
2	A	3127	2991	7.52
3	A	3052	2919	15.98
4	A	1561	1493	0.37
5	A	1551	1484	8.32
6	A	1446	1383	0.29
7	A	1038	993	4.99
8	A	1033	988	3.24
9	A	698	667	0.17
10	A	515	493	0.18
11	A	243	232	1.26
12	A	154	147	0.02
13	A	105	101	1.29
14	B	3144	3008	10.09
15	B	3126	2990	5.58
16	B	3050	2918	14.64
17	B	1565	1497	17.55
18	B	1545	1478	11.67
19	B	1439	1376	1.38
20	B	1041	996	18.62
21	B	1030	985	3.41
22	B	693	663	0.80
23	B	278	266	1.07
24	B	166	158	0.39

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.026	-0.510
S2	0.000	-1.026	-0.510
C3	1.208	1.399	0.820
C4	-1.208	-1.399	0.820
H5	1.302	2.492	0.869
H6	0.852	1.025	1.787
H7	2.182	0.958	0.584
H8	-1.302	-2.492	0.869
H9	-0.852	-1.025	1.787
H10	-2.182	-0.958	0.584

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.0527	1.8354	3.0188	2.3967	2.4496	2.4415	3.9970	3.1954	3.1455
S2	2.0527		3.0188	1.8354	3.9970	3.1954	3.1455	2.3967	2.4496	2.4415
C3	1.8354	3.0188		3.6975	1.0981	1.0958	1.0947	4.6310	3.3253	4.1358
C4	3.0188	1.8354	3.6975		4.6310	3.3253	4.1358	1.0981	1.0958	1.0947
H5	2.3967	3.9970	1.0981	4.6310		1.7879	1.7916	5.6234	4.2255	4.9112
H6	2.4496	3.1954	1.0958	3.3253	1.7879		1.7945	4.2255	2.6663	3.8190
H7	2.4415	3.1455	1.0947	4.1358	1.7916	1.7945		4.9112	3.8190	4.7656
H8	3.9970	2.3967	4.6310	1.0981	5.6234	4.2255	4.9112		1.7879	1.7916
H9	3.1954	2.4496	3.3253	1.0958	4.2255	2.6663	3.8190	1.7879		1.7945
H10	3.1455	2.4415	4.1358	1.0947	4.9112	3.8190	4.7656	1.7916	1.7945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	101.723	S1	C3	H5	106.867
S1	C3	H6	110.842	S1	C3	H7	110.296
S2	S1	C3	101.723	S2	C4	H8	106.867
S2	C4	H9	110.842	S2	C4	H10	110.296
H5	C3	H6	109.165	H5	C3	H7	109.586
H6	C3	H7	110.020	H8	C4	H9	109.165
H8	C4	H10	109.586	H9	C4	H10	110.020

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

using model chemistry: CCD/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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All results from a given calculation for CH3SSCH3 (Disulfide, dimethyl)

using model chemistry: CCD/3-21G*

States and conformations

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