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	hartrees
Energy at 0K	-870.208488
Energy at 298.15K	-870.214392
Nuclear repulsion energy	210.030230

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3255	3033	3.73
2	A	3233	3012	5.00
3	A	3146	2931	13.75
4	A	1580	1472	0.06
5	A	1574	1466	10.80
6	A	1447	1348	2.49
7	A	1028	958	3.64
8	A	1023	953	3.86
9	A	661	615	2.45
10	A	435	405	0.00
11	A	202	188	0.97
12	A	139	129	0.00
13	A	78	73	1.73
14	B	3255	3032	5.70
15	B	3233	3012	0.89
16	B	3143	2928	9.26
17	B	1584	1476	20.99
18	B	1568	1461	13.79
19	B	1439	1341	9.16
20	B	1032	961	16.45
21	B	1021	951	3.04
22	B	656	612	1.66
23	B	236	220	1.56
24	B	151	140	0.48

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	1.139	-0.528
S2	0.000	-1.139	-0.528
C3	1.271	1.426	0.856
C4	-1.271	-1.426	0.856
H5	1.384	2.507	0.936
H6	0.895	1.017	1.790
H7	2.213	0.963	0.576
H8	-1.384	-2.507	0.936
H9	-0.895	-1.017	1.790
H10	-2.213	-0.963	0.576

	S1	S2	C3	C4	H5	H6	H7	H8	H9	H10
S1		2.2771	1.9009	3.1794	2.4357	2.4876	2.4789	4.1655	3.2893	3.2450
S2	2.2771		3.1794	1.9009	4.1655	3.2893	3.2450	2.4357	2.4876	2.4789
C3	1.9009	3.1794		3.8208	1.0898	1.0872	1.0862	4.7465	3.3957	4.2334
C4	3.1794	1.9009	3.8208		4.7465	3.3957	4.2334	1.0898	1.0872	1.0862
H5	2.4357	4.1655	1.0898	4.7465		1.7862	1.7890	5.7280	4.2828	5.0109
H6	2.4876	3.2893	1.0872	3.3957	1.7862		1.7929	4.2828	2.7086	3.8791
H7	2.4789	3.2450	1.0862	4.2334	1.7890	1.7929		5.0109	3.8791	4.8260
H8	4.1655	2.4357	4.7465	1.0898	5.7280	4.2828	5.0109		1.7862	1.7890
H9	3.2893	2.4876	3.3957	1.0872	4.2828	2.7086	3.8791	1.7862		1.7929
H10	3.2450	2.4789	4.2334	1.0862	5.0109	3.8791	4.8260	1.7890	1.7929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	98.703	S1	C3	H5	105.853
S1	C3	H6	109.695	S1	C3	H7	109.111
S2	S1	C3	98.703	S2	C4	H8	105.853
S2	C4	H9	109.695	S2	C4	H10	109.111
H5	C3	H6	110.268	H5	C3	H7	110.603
H6	C3	H7	111.165	H8	C4	H9	110.268
H8	C4	H10	110.603	H9	C4	H10	111.165

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

using model chemistry: CID/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: CID/3-21G

States and conformations

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