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	hartrees
Energy at 0K	-876.265139
Energy at 298.15K	-876.271318
Nuclear repulsion energy	221.139239

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3173	3035	4.84
2	A	3159	3022	7.18
3	A	3068	2935	18.99
4	A	1472	1409	0.27
5	A	1465	1401	8.73
6	A	1367	1307	1.60
7	A	990	947	8.23
8	A	983	940	1.70
9	A	713	682	0.16
10	A	500	478	0.32
11	A	235	225	1.83
12	A	164	157	0.03
13	A	103	98	1.35
14	B	3172	3035	8.36
15	B	3158	3022	4.33
16	B	3066	2934	20.64
17	B	1477	1413	23.55
18	B	1459	1396	12.23
19	B	1359	1300	3.22
20	B	989	947	21.76
21	B	981	938	5.50
22	B	711	680	2.87
23	B	263	251	2.01
24	B	176	168	0.50

Atom	x (Å)	y (Å)	z (Å)
S1	-0.459	0.926	-0.492
S2	0.459	-0.926	-0.492
C3	0.459	1.823	0.792
C4	-0.459	-1.823	0.792
H5	0.054	2.836	0.799
H6	0.312	1.376	1.774
H7	1.520	1.861	0.550
H8	-0.054	-2.836	0.799
H9	-0.312	-1.376	1.774
H10	-1.520	-1.861	0.550

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.0666	1.8150	3.0335	2.3623	2.4353	2.4237	3.9982	3.2332	3.1584
S2	2.0666		3.0335	1.8150	3.9982	3.2332	3.1584	2.3623	2.4353	2.4237
C3	1.8150	3.0335		3.7592	1.0915	1.0891	1.0885	4.6874	3.4337	4.1880
C4	3.0335	1.8150	3.7592		4.6874	3.4337	4.1880	1.0915	1.0891	1.0885
H5	2.3623	3.9982	1.0915	4.6874		1.7748	1.7780	5.6740	4.3392	4.9600
H6	2.4353	3.2332	1.0891	3.4337	1.7748		1.7862	4.3392	2.8216	3.9149
H7	2.4237	3.1584	1.0885	4.1880	1.7780	1.7862		4.9600	3.9149	4.8046
H8	3.9982	2.3623	4.6874	1.0915	5.6740	4.3392	4.9600		1.7748	1.7780
H9	3.2332	2.4353	3.4337	1.0891	4.3392	2.8216	3.9149	1.7748		1.7862
H10	3.1584	2.4237	4.1880	1.0885	4.9600	3.9149	4.8046	1.7780	1.7862

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.606	S1	C3	H5	106.045
S1	C3	H6	111.526	S1	C3	H7	110.677
S2	S1	C3	102.606	S2	C4	H8	106.045
S2	C4	H9	111.526	S2	C4	H10	110.677
H5	C3	H6	108.963	H5	C3	H7	109.290
H6	C3	H7	110.222	H8	C4	H9	108.963
H8	C4	H10	109.290	H9	C4	H10	110.222

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

using model chemistry: mPW1PW91/6-311G**

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	0.006
2	S	0.006
3	C	-0.502
4	C	-0.502
5	H	0.161
6	H	0.160
7	H	0.174
8	H	0.161
9	H	0.160
10	H	0.174

	x	y	z	Total
	0.000	0.000	2.267	2.267
CHELPG
AIM
ESP

	x	y	z
x	7.214	-0.280	0.000
y	-0.280	11.528	0.000
z	0.000	0.000	7.644

<r²>	156.290
(<r²>)^1/2	12.502

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

using model chemistry: mPW1PW91/6-311G**

States and conformations

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