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	hartrees
Energy at 0K	-874.833578
Energy at 298.15K	-874.839836
HF Energy	-874.257106
Nuclear repulsion energy	222.481526

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3262	3048	3.70
2	A	3248	3034	7.21
3	A	3141	2935	16.95
4	A	1538	1437	0.79
5	A	1522	1422	5.74
6	A	1430	1336	2.45
7	A	1030	962	4.56
8	A	1020	953	2.87
9	A	751	702	0.06
10	A	531	496	0.17
11	A	242	226	1.58
12	A	161	150	0.00
13	A	100	93	1.18
14	B	3262	3048	7.78
15	B	3247	3034	4.23
16	B	3140	2934	15.46
17	B	1542	1441	16.02
18	B	1514	1415	8.84
19	B	1422	1329	5.27
20	B	1026	959	17.73
21	B	1020	953	2.73
22	B	747	698	1.58
23	B	271	254	1.27
24	B	174	162	0.37

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.027	-0.502
S2	0.000	-1.027	-0.502
C3	1.194	1.402	0.806
C4	-1.194	-1.402	0.806
H5	1.284	2.485	0.844
H6	0.850	1.046	1.772
H7	2.163	0.971	0.578
H8	-1.284	-2.485	0.844
H9	-0.850	-1.046	1.772
H10	-2.163	-0.971	0.578

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.0537	1.8098	3.0057	2.3639	2.4278	2.4186	3.9746	3.1922	3.1363
S2	2.0537		3.0057	1.8098	3.9746	3.1922	3.1363	2.3639	2.4278	2.4186
C3	1.8098	3.0057		3.6829	1.0879	1.0861	1.0853	4.6103	3.3322	4.1172
C4	3.0057	1.8098	3.6829		4.6103	3.3322	4.1172	1.0879	1.0861	1.0853
H5	2.3639	3.9746	1.0879	4.6103		1.7670	1.7716	5.5952	4.2292	4.8888
H6	2.4278	3.1922	1.0861	3.3322	1.7670		1.7766	4.2292	2.6953	3.8173
H7	2.4186	3.1363	1.0853	4.1172	1.7716	1.7766		4.8888	3.8173	4.7422
H8	3.9746	2.3639	4.6103	1.0879	5.5952	4.2292	4.8888		1.7670	1.7716
H9	3.1922	2.4278	3.3322	1.0861	4.2292	2.6953	3.8173	1.7670		1.7766
H10	3.1363	2.4186	4.1172	1.0853	4.8888	3.8173	4.7422	1.7716	1.7766

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	101.965	S1	C3	H5	106.669
S1	C3	H6	111.476	S1	C3	H7	110.826
S2	S1	C3	101.965	S2	C4	H8	106.669
S2	C4	H9	111.476	S2	C4	H10	110.826
H5	C3	H6	108.743	H5	C3	H7	109.223
H6	C3	H7	109.812	H8	C4	H9	108.743
H8	C4	H10	109.223	H9	C4	H10	109.812

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

using model chemistry: MP2=FULL/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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All results from a given calculation for CH3SSCH3 (Disulfide, dimethyl)

using model chemistry: MP2=FULL/6-31G**

States and conformations

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