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	hartrees
Energy at 0K	-876.143133
Energy at 298.15K	-876.149238
Nuclear repulsion energy	220.518979

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3155	3037	6.45
2	A	3140	3023	8.73
3	A	3053	2939	22.41
4	A	1484	1429	0.46
5	A	1477	1422	9.21
6	A	1376	1324	1.36
7	A	993	956	9.84
8	A	985	949	1.88
9	A	702	676	0.16
10	A	490	471	0.33
11	A	231	222	1.78
12	A	154	149	0.01
13	A	99	96	1.38
14	B	3154	3037	11.28
15	B	3139	3022	6.49
16	B	3051	2937	26.02
17	B	1489	1434	24.25
18	B	1471	1416	13.58
19	B	1369	1317	2.55
20	B	992	955	24.54
21	B	983	947	6.13
22	B	701	675	2.99
23	B	259	249	1.90
24	B	167	161	0.52

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.037	-0.492
S2	0.000	-1.037	-0.492
C3	1.226	1.434	0.792
C4	-1.226	-1.434	0.792
H5	1.319	2.523	0.798
H6	0.899	1.103	1.778
H7	2.194	0.995	0.551
H8	-1.319	-2.523	0.798
H9	-0.899	-1.103	1.778
H10	-2.194	-0.995	0.551

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.0736	1.8191	3.0425	2.3689	2.4422	2.4302	4.0094	3.2465	3.1676
S2	2.0736		3.0425	1.8191	4.0094	3.2465	3.1676	2.3689	2.4422	2.4302
C3	1.8191	3.0425		3.7736	1.0928	1.0904	1.0897	4.7048	3.4534	4.2022
C4	3.0425	1.8191	3.7736		4.7048	3.4534	4.2022	1.0928	1.0904	1.0897
H5	2.3689	4.0094	1.0928	4.7048		1.7754	1.7780	5.6937	4.3620	4.9779
H6	2.4422	3.2465	1.0904	3.4534	1.7754		1.7870	4.3620	2.8461	3.9338
H7	2.4302	3.1676	1.0897	4.2022	1.7780	1.7870		4.9779	3.9338	4.8189
H8	4.0094	2.3689	4.7048	1.0928	5.6937	4.3620	4.9779		1.7754	1.7780
H9	3.2465	2.4422	3.4534	1.0904	4.3620	2.8461	3.9338	1.7754		1.7870
H10	3.1676	2.4302	4.2022	1.0897	4.9779	3.9338	4.8189	1.7780	1.7870

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.617	S1	C3	H5	106.186
S1	C3	H6	111.690	S1	C3	H7	110.817
S2	S1	C3	102.617	S2	C4	H8	106.186
S2	C4	H9	111.690	S2	C4	H10	110.817
H5	C3	H6	108.820	H5	C3	H7	109.105
H6	C3	H7	110.102	H8	C4	H9	108.820
H8	C4	H10	109.105	H9	C4	H10	110.102

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

using model chemistry: B3PW91/6-311G*

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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Number	Element	Mulliken
1	S	0.039
2	S	0.039
3	C	-0.815
4	C	-0.815
5	H	0.256
6	H	0.253
7	H	0.267
8	H	0.256
9	H	0.253
10	H	0.267

<r²>	157.159
(<r²>)^1/2	12.536

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

using model chemistry: B3PW91/6-311G*

States and conformations

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