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	hartrees
Energy at 0K	-874.944176
Energy at 298.15K	-874.950469
Nuclear repulsion energy	221.466525

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3167	3022	4.71
2	A	3154	3009	8.92
3	A	3070	2929	23.92
4	A	1487	1419	0.63
5	A	1479	1411	5.38
6	A	1412	1347	3.59
7	A	1016	970	5.05
8	A	1003	957	2.63
9	A	737	703	0.20
10	A	502	478	0.16
11	A	245	234	1.50
12	A	178	170	0.11
13	A	101	96	0.93
14	B	3166	3021	13.90
15	B	3154	3009	11.22
16	B	3068	2927	22.91
17	B	1491	1422	16.16
18	B	1470	1403	7.67
19	B	1404	1339	6.81
20	B	1009	963	15.21
21	B	1008	961	5.79
22	B	734	701	1.33
23	B	274	262	1.37
24	B	191	182	0.32

Atom	x (Å)	y (Å)	z (Å)
S1	-0.462	0.930	-0.506
S2	0.462	-0.930	-0.506
C3	0.462	1.770	0.812
C4	-0.462	-1.770	0.812
H5	0.066	2.788	0.879
H6	0.320	1.273	1.776
H7	1.526	1.811	0.573
H8	-0.066	-2.788	0.879
H9	-0.320	-1.273	1.776
H10	-1.526	-1.811	0.573

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.0774	1.8154	3.0049	2.3765	2.4366	2.4275	3.9878	3.1754	3.1330
S2	2.0774		3.0049	1.8154	3.9878	3.1754	3.1330	2.3765	2.4366	2.4275
C3	1.8154	3.0049		3.6575	1.0947	1.0928	1.0919	4.5884	3.2858	4.1023
C4	3.0049	1.8154	3.6575		4.5884	3.2858	4.1023	1.0947	1.0928	1.0919
H5	2.3765	3.9878	1.0947	4.5884		1.7788	1.7833	5.5775	4.1768	4.8764
H6	2.4366	3.1754	1.0928	3.2858	1.7788		1.7857	4.1768	2.6255	3.7904
H7	2.4275	3.1330	1.0919	4.1023	1.7833	1.7857		4.8764	3.7904	4.7368
H8	3.9878	2.3765	4.5884	1.0947	5.5775	4.1768	4.8764		1.7788	1.7833
H9	3.1754	2.4366	3.2858	1.0928	4.1768	2.6255	3.7904	1.7788		1.7857
H10	3.1330	2.4275	4.1023	1.0919	4.8764	3.7904	4.7368	1.7833	1.7857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	100.838	S1	C3	H5	106.873
S1	C3	H6	111.388	S1	C3	H7	110.760
S2	S1	C3	100.838	S2	C4	H8	106.873
S2	C4	H9	111.388	S2	C4	H10	110.760
H5	C3	H6	108.811	H5	C3	H7	109.292
H6	C3	H7	109.642	H8	C4	H9	108.811
H8	C4	H10	109.292	H9	C4	H10	109.642

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

using model chemistry: QCISD/6-311G**

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: QCISD/6-311G**

States and conformations

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