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	hartrees
Energy at 0K	-870.586325
Energy at 298.15K	-870.592564
HF Energy	-870.125899
Nuclear repulsion energy	221.865091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3193	3027	3.75
2	A	3175	3010	6.91
3	A	3092	2931	14.17
4	A	1579	1496	0.56
5	A	1567	1486	8.35
6	A	1457	1382	0.54
7	A	1049	994	5.54
8	A	1041	987	3.04
9	A	702	665	0.25
10	A	524	497	0.29
11	A	244	231	1.32
12	A	155	147	0.01
13	A	108	102	1.37
14	B	3193	3027	7.44
15	B	3174	3009	3.40
16	B	3091	2930	12.10
17	B	1583	1500	18.68
18	B	1561	1480	12.67
19	B	1450	1375	1.77
20	B	1050	995	20.39
21	B	1039	985	3.66
22	B	697	661	0.95
23	B	278	264	1.13
24	B	168	159	0.42

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.020	-0.509
S2	0.000	-1.020	-0.509
C3	1.203	1.399	0.819
C4	-1.203	-1.399	0.819
H5	1.297	2.489	0.859
H6	0.845	1.033	1.784
H7	2.173	0.955	0.586
H8	-1.297	-2.489	0.859
H9	-0.845	-1.033	1.784
H10	-2.173	-0.955	0.586

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.0410	1.8315	3.0110	2.3898	2.4434	2.4343	3.9841	3.1919	3.1347
S2	2.0410		3.0110	1.8315	3.9841	3.1919	3.1347	2.3898	2.4434	2.4343
C3	1.8315	3.0110		3.6910	1.0949	1.0924	1.0914	4.6233	3.3232	4.1230
C4	3.0110	1.8315	3.6910		4.6233	3.3232	4.1230	1.0949	1.0924	1.0914
H5	2.3898	3.9841	1.0949	4.6233		1.7831	1.7873	5.6140	4.2252	4.8972
H6	2.4434	3.1919	1.0924	3.3232	1.7831		1.7898	4.2252	2.6695	3.8075
H7	2.4343	3.1347	1.0914	4.1230	1.7873	1.7898		4.8972	3.8075	4.7477
H8	3.9841	2.3898	4.6233	1.0949	5.6140	4.2252	4.8972		1.7831	1.7873
H9	3.1919	2.4434	3.3232	1.0924	4.2252	2.6695	3.8075	1.7831		1.7898
H10	3.1347	2.4343	4.1230	1.0914	4.8972	3.8075	4.7477	1.7873	1.7898

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	101.935	S1	C3	H5	106.785
S1	C3	H6	110.822	S1	C3	H7	110.198
S2	S1	C3	101.935	S2	C4	H8	106.785
S2	C4	H9	110.822	S2	C4	H10	110.198
H5	C3	H6	109.214	H5	C3	H7	109.673
H6	C3	H7	110.084	H8	C4	H9	109.214
H8	C4	H10	109.673	H9	C4	H10	110.084

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

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

using model chemistry: MP2=FULL/3-21G*

States and conformations

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