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	hartrees
Energy at 0K	-870.208948
Energy at 298.15K	-870.214783
HF Energy	-869.905908
Nuclear repulsion energy	209.126547

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3233	3086	3.38
2	A	3212	3066	5.00
3	A	3117	2975	13.00
4	A	1570	1499	0.14
5	A	1563	1491	9.86
6	A	1429	1364	2.47
7	A	1009	963	6.07
8	A	1008	962	1.56
9	A	642	613	1.44
10	A	417	398	0.00
11	A	195	187	0.93
12	A	137	131	0.00
13	A	79	75	1.55
14	B	3233	3086	5.57
15	B	3211	3065	0.95
16	B	3117	2975	6.77
17	B	1574	1503	20.30
18	B	1557	1486	12.72
19	B	1421	1356	7.97
20	B	1013	967	16.40
21	B	1005	959	3.54
22	B	639	610	1.02
23	B	229	219	1.65
24	B	151	144	0.46

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.148	-0.534
S2	0.000	-1.148	-0.534
C3	1.267	1.421	0.868
C4	-1.267	-1.421	0.868
H5	1.377	2.504	0.959
H6	0.883	1.000	1.796
H7	2.213	0.960	0.588
H8	-1.377	-2.504	0.959
H9	-0.883	-1.000	1.796
H10	-2.213	-0.960	0.588

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.2951	1.9095	3.1890	2.4428	2.4969	2.4884	4.1786	3.2900	3.2558
S2	2.2951		3.1890	1.9095	4.1786	3.2900	3.2558	2.4428	2.4969	2.4884
C3	1.9095	3.1890		3.8078	1.0922	1.0896	1.0885	4.7334	3.3683	4.2258
C4	3.1890	1.9095	3.8078		4.7334	3.3683	4.2258	1.0922	1.0896	1.0885
H5	2.4428	4.1786	1.0922	4.7334		1.7908	1.7941	5.7152	4.2526	5.0025
H6	2.4969	3.2900	1.0896	3.3683	1.7908		1.7971	4.2526	2.6678	3.8580
H7	2.4884	3.2558	1.0885	4.2258	1.7941	1.7971		5.0025	3.8580	4.8243
H8	4.1786	2.4428	4.7334	1.0922	5.7152	4.2526	5.0025		1.7908	1.7941
H9	3.2900	2.4969	3.3683	1.0896	4.2526	2.6678	3.8580	1.7908		1.7971
H10	3.2558	2.4884	4.2258	1.0885	5.0025	3.8580	4.8243	1.7941	1.7971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	98.239	S1	C3	H5	105.690
S1	C3	H6	109.670	S1	C3	H7	109.105
S2	S1	C3	98.239	S2	C4	H8	105.690
S2	C4	H9	109.670	S2	C4	H10	109.105
H5	C3	H6	110.324	H5	C3	H7	110.708
H6	C3	H7	111.186	H8	C4	H9	110.324
H8	C4	H10	110.708	H9	C4	H10	111.186

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

using model chemistry: MP2/3-21G

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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Number	Element	Mulliken	ESP
1	S	0.074	-0.110
2	S	0.074	-0.108
3	C	-0.751	-0.325
4	C	-0.751	-0.344
5	H	0.225	0.168
6	H	0.217	0.134
7	H	0.234	0.133
8	H	0.225	0.175
9	H	0.217	0.141
10	H	0.234	0.137

	x	y	z	Total
	0.000	0.000	2.522	2.522
CHELPG
AIM
ESP	0.006	-0.010	2.484	2.484

	x	y	z
x	11.165	0.000	-0.788
y	0.000	6.616	0.000
z	-0.788	0.000	6.217

<r²>	169.782
(<r²>)^1/2	13.030

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

using model chemistry: MP2/3-21G

States and conformations

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