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	hartrees
Energy at 0K	-876.141800
Energy at 298.15K	-876.147941
HF Energy	-876.141800
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3194	3029	2.00
2	A	3179	3015	8.65
3	A	3087	2928	20.34
4	A	1516	1438	0.78
5	A	1501	1424	8.19
6	A	1403	1331	1.05
7	A	1012	960	5.52
8	A	1000	948	2.61
9	A	720	683	0.22
10	A	520	493	0.29
11	A	237	225	1.78
12	A	144	136	0.00
13	A	105	99	1.38
14	B	3194	3029	9.10
15	B	3179	3015	4.57
16	B	3085	2926	17.44
17	B	1521	1443	20.72
18	B	1494	1417	13.05
19	B	1396	1324	2.22
20	B	1008	956	18.70
21	B	1002	950	4.87
22	B	717	680	1.87
23	B	272	258	1.51
24	B	158	150	0.52

Atom	x (Å)	y (Å)	z (Å)
S1	-0.425	0.937	-0.530
S2	0.425	-0.937	-0.530
C3	0.425	1.766	0.851
C4	-0.425	-1.766	0.851
H5	0.040	2.790	0.878
H6	0.205	1.278	1.804
H7	1.504	1.790	0.683
H8	-0.040	-2.790	0.878
H9	-0.205	-1.278	1.804
H10	-1.504	-1.790	0.683

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.0578	1.8210	3.0350	2.3729	2.4408	2.4331	4.0023	3.2248	3.1738
S2	2.0578		3.0350	1.8210	4.0023	3.2248	3.1738	2.3729	2.4408	2.4331
C3	1.8210	3.0350		3.6326	1.0942	1.0926	1.0920	4.5792	3.2513	4.0492
C4	3.0350	1.8210	3.6326		4.5792	3.2513	4.0492	1.0942	1.0926	1.0920
H5	2.3729	4.0023	1.0942	4.5792		1.7799	1.7833	5.5798	4.1789	4.8371
H6	2.4408	3.2248	1.0926	3.2513	1.7799		1.7902	4.1789	2.5890	3.6867
H7	2.4331	3.1738	1.0920	4.0492	1.7833	1.7902		4.8371	3.6867	4.6764
H8	4.0023	2.3729	4.5792	1.0942	5.5798	4.1789	4.8371		1.7799	1.7833
H9	3.2248	2.4408	3.2513	1.0926	4.1789	2.5890	3.6867	1.7799		1.7902
H10	3.1738	2.4331	4.0492	1.0920	4.8371	3.6867	4.6764	1.7833	1.7902

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.805	S1	C3	H5	106.287
S1	C3	H6	111.335	S1	C3	H7	110.789
S2	S1	C3	102.805	S2	C4	H8	106.287
S2	C4	H9	111.335	S2	C4	H10	110.789
H5	C3	H6	108.959	H5	C3	H7	109.313
H6	C3	H7	110.057	H8	C4	H9	108.959
H8	C4	H10	109.313	H9	C4	H10	110.057

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

using model chemistry: wB97X-D/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	0.023
2	S	0.023
3	C	-0.645
4	C	-0.645
5	H	0.208
6	H	0.199
7	H	0.215
8	H	0.208
9	H	0.199
10	H	0.215

	x	y	z	Total
	0.000	0.000	2.371	2.371
CHELPG
AIM
ESP

	x	y	z
x	6.517	-0.262	0.000
y	-0.262	10.753	0.000
z	0.000	0.000	7.005

<r²>	155.540
(<r²>)^1/2	12.472

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

using model chemistry: wB97X-D/6-31G*

States and conformations

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