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	hartrees
Energy at 0K	-100.008094
Energy at 298.15K	-100.013851
Nuclear repulsion energy	82.736184

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3208	3083	15.79
2	A	3186	3062	11.05
3	A	3073	2954	19.83
4	A	1497	1439	0.48
5	A	1483	1426	15.06
6	A	1383	1330	0.08
7	A	997	958	12.84
8	A	992	954	0.08
9	A	642	617	0.47
10	A	406	391	0.02
11	A	198	190	1.10
12	A	136	131	0.13
13	A	74	71	2.35
14	B	3208	3083	18.36
15	B	3185	3061	8.20
16	B	3072	2953	25.67
17	B	1500	1442	26.81
18	B	1481	1423	16.71
19	B	1378	1324	1.77
20	B	996	957	26.82
21	B	992	954	6.48
22	B	642	617	1.56
23	B	225	216	2.66
24	B	143	138	0.70

Atom	x (Å)	y (Å)	z (Å)
S1	-1.036	0.477	-0.496
S2	1.036	-0.477	-0.496
C3	-0.799	1.838	0.804
C4	0.799	-1.838	0.804
H5	-1.752	2.376	0.844
H6	-0.579	1.400	1.780
H7	0.000	2.512	0.493
H8	1.752	-2.376	0.844
H9	0.579	-1.400	1.780
H10	0.000	-2.512	0.493

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.2817	1.8969	3.2280	2.4321	2.4981	2.4882	4.2088	3.3632	3.3146
S2	2.2817		3.2280	1.8969	4.2088	3.3632	3.3146	2.4321	2.4981	2.4882
C3	1.8969	3.2280		4.0080	1.0952	1.0919	1.0911	4.9265	3.6512	4.4332
C4	3.2280	1.8969	4.0080		4.9265	3.6512	4.4332	1.0952	1.0919	1.0911
H5	2.4321	4.2088	1.0952	4.9265		1.7908	1.7919	5.9050	4.5352	5.2046
H6	2.4981	3.3632	1.0919	3.6512	1.7908		1.7966	4.5352	3.0292	4.1581
H7	2.4882	3.3146	1.0911	4.4332	1.7919	1.7966		5.2046	4.1581	5.0234
H8	4.2088	2.4321	4.9265	1.0952	5.9050	4.5352	5.2046		1.7908	1.7919
H9	3.3632	2.4981	3.6512	1.0919	4.5352	3.0292	4.1581	1.7908		1.7966
H10	3.3146	2.4882	4.4332	1.0911	5.2046	4.1581	5.0234	1.7919	1.7966

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	100.759	S1	C3	H5	105.603
S1	C3	H6	110.492	S1	C3	H7	109.805
S2	S1	C3	100.759	S2	C4	H8	105.603
S2	C4	H9	110.492	S2	C4	H10	109.805
H5	C3	H6	109.940	H5	C3	H7	110.100
H6	C3	H7	110.778	H8	C4	H9	109.940
H8	C4	H10	110.100	H9	C4	H10	110.778

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

using model chemistry: B3LYP/LANL2DZ

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	0.014
2	S	0.014
3	C	-0.774
4	C	-0.774
5	H	0.249
6	H	0.248
7	H	0.263
8	H	0.249
9	H	0.248
10	H	0.263

	x	y	z
x	9.051	-3.006	0.000
y	-3.006	9.469	0.000
z	0.000	0.000	6.452

<r²>	141.101
(<r²>)^1/2	11.879

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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