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	hartrees
Energy at 0K	-876.215975
Energy at 298.15K	-876.222002
Nuclear repulsion energy	218.891982

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3166	3042	5.93
2	A	3149	3026	8.18
3	A	3060	2940	16.33
4	A	1491	1432	0.46
5	A	1477	1419	6.01
6	A	1367	1314	3.00
7	A	983	945	6.49
8	A	979	941	1.07
9	A	685	658	0.12
10	A	487	468	0.25
11	A	227	218	1.47
12	A	144	138	0.04
13	A	99	95	1.47
14	B	3166	3042	9.36
15	B	3149	3025	4.56
16	B	3058	2938	19.68
17	B	1495	1436	18.30
18	B	1472	1414	9.78
19	B	1360	1307	7.30
20	B	984	946	18.38
21	B	973	935	3.12
22	B	683	656	2.20
23	B	257	247	1.47
24	B	154	148	0.44

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.041	-0.495
S2	0.000	-1.041	-0.495
C3	1.231	1.468	0.798
C4	-1.231	-1.468	0.798
H5	1.308	2.559	0.789
H6	0.900	1.142	1.786
H7	2.204	1.034	0.563
H8	-1.308	-2.559	0.789
H9	-0.900	-1.142	1.786
H10	-2.204	-1.034	0.563

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.0825	1.8358	3.0794	2.3799	2.4543	2.4447	4.0400	3.2832	3.2065
S2	2.0825		3.0794	1.8358	4.0400	3.2832	3.2065	2.3799	2.4543	2.4447
C3	1.8358	3.0794		3.8310	1.0939	1.0915	1.0909	4.7602	3.5107	4.2554
C4	3.0794	1.8358	3.8310		4.7602	3.5107	4.2554	1.0939	1.0915	1.0909
H5	2.3799	4.0400	1.0939	4.7602		1.7799	1.7831	5.7476	4.4231	5.0288
H6	2.4543	3.2832	1.0915	3.5107	1.7799		1.7909	4.4231	2.9076	3.9824
H7	2.4447	3.2065	1.0909	4.2554	1.7831	1.7909		5.0288	3.9824	4.8681
H8	4.0400	2.3799	4.7602	1.0939	5.7476	4.4231	5.0288		1.7799	1.7831
H9	3.2832	2.4543	3.5107	1.0915	4.4231	2.9076	3.9824	1.7799		1.7909
H10	3.2065	2.4447	4.2554	1.0909	5.0288	3.9824	4.8681	1.7831	1.7909

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	103.433	S1	C3	H5	105.851
S1	C3	H6	111.399	S1	C3	H7	110.710
S2	S1	C3	103.433	S2	C4	H8	105.851
S2	C4	H9	111.399	S2	C4	H10	110.710
H5	C3	H6	109.065	H5	C3	H7	109.402
H6	C3	H7	110.293	H8	C4	H9	109.065
H8	C4	H10	109.402	H9	C4	H10	110.293

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

using model chemistry: B3LYP/6-31G**

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	-0.460
4	C	-0.460
5	H	0.147
6	H	0.143
7	H	0.156
8	H	0.147
9	H	0.143
10	H	0.156

	x	y	z
x	11.270	-0.003	-0.407
y	-0.003	7.060	-0.000
z	-0.407	-0.000	6.683

<r²>	159.419
(<r²>)^1/2	12.626

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

using model chemistry: B3LYP/6-31G**

States and conformations

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